Chemical Components in the PDB

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8VY : Summary

Code

8VY

One-letter code

X

Molecule name

1,3-bis(bromomethyl)benzene

Synonyms

alpha,alpha'-dibromo-m-xylene

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 1,3-bis(bromomethyl)benzene

Formula

C8 H8 Br2

Formal charge

0

Molecular weight

263.957 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 BrCc1cccc(CBr)c1
SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)CBr)CBr
Canonical SMILES CACTVS 3.385 BrCc1cccc(CBr)c1
Canonical SMILES OpenEye OEToolkits 2.0.6 c1cc(cc(c1)CBr)CBr

IUPAC InChI

InChI=1S/C8H8Br2/c9-5-7-2-1-3-8(4-7)6-10/h1-4H,5-6H2

IUPAC InChI key

OXHOPZLBSSTTBU-UHFFFAOYSA-N
8VY

wwPDB Information

Atom count

18 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-03-08

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned