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8GB : Summary
Code ![](/pdbe/static/images/help.png)
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8GB
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One-letter code ![](/pdbe/static/images/help.png)
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X
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Molecule name ![](/pdbe/static/images/help.png)
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1-[5-chloranyl-3-(chloromethyl)-2-oxidanyl-phenyl]ethanone
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Systematic names ![](/pdbe/static/images/help.png)
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Formula ![](/pdbe/static/images/help.png)
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C9 H8 Cl2 O2
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Formal charge ![](/pdbe/static/images/help.png)
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0
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Molecular weight ![](/pdbe/static/images/help.png)
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219.065 Da
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SMILES ![](/pdbe/static/images/help.png)
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Type | Program | Version | Descriptor |
SMILES
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CACTVS |
3.385 |
CC(=O)c1cc(Cl)cc(CCl)c1O |
SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(=O)c1cc(cc(c1O)CCl)Cl |
Canonical SMILES
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CACTVS |
3.385 |
CC(=O)c1cc(Cl)cc(CCl)c1O |
Canonical SMILES
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OpenEye OEToolkits |
2.0.6 |
CC(=O)c1cc(cc(c1O)CCl)Cl |
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IUPAC InChI ![](/pdbe/static/images/help.png) | InChI=1S/C9H8Cl2O2/c1-5(12)8-3-7(11)2-6(4-10)9(8)13/h2-3,13H,4H2,1H3 |
IUPAC InChI key ![](/pdbe/static/images/help.png) | WWNJCGKNKZXVIS-UHFFFAOYSA-N |
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wwPDB Information |
Atom count ![](/pdbe/static/images/help.png)
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21 (13 without Hydrogen)
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Polymer type ![](/pdbe/static/images/help.png)
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Bound ligand
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Type description ![](/pdbe/static/images/help.png)
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NON-POLYMER
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Type code ![](/pdbe/static/images/help.png)
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HETAIN
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Is modified ![](/pdbe/static/images/help.png)
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No
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Standard parent ![](/pdbe/static/images/help.png)
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Not Assigned
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Defined at ![](/pdbe/static/images/help.png)
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2017-02-06
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Last modified at ![](/pdbe/static/images/help.png)
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2018-02-23
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Status ![](/pdbe/static/images/help.png)
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Released
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Obsoleted ![](/pdbe/static/images/help.png)
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Not Assigned
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