Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

TZQ : Summary

Code

TZQ

One-letter code

X

Molecule name

5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid

Formula

C12 H8 Cl F O4

Formal charge

0

Molecular weight

270.641 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC(=O)c1oc(COc2ccc(F)c(Cl)c2)cc1
SMILES OpenEye OEToolkits 2.0.7 c1cc(c(cc1OCc2ccc(o2)C(=O)O)Cl)F
Canonical SMILES CACTVS 3.385 OC(=O)c1oc(COc2ccc(F)c(Cl)c2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(c(cc1OCc2ccc(o2)C(=O)O)Cl)F

IUPAC InChI

InChI=1S/C12H8ClFO4/c13-9-5-7(1-3-10(9)14)17-6-8-2-4-11(18-8)12(15)16/h1-5H,6H2,(H,15,16)

IUPAC InChI key

UXWZMHGDRKKRHC-UHFFFAOYSA-N
TZQ

wwPDB Information

Atom count

26 (18 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2021-01-15

Last modified at

2022-02-25

Status

Released

Obsoleted

Not Assigned