ISDA: 6ROB

Structural Complex

Chemical ID: BE7

IUPAC Name: (4-CARBOXYPHENYL)(CHLORO)MERCURY

Formal Charge: ?

Type: NON-POLYMER

Physiochemical Descriptor:

Formula: C7 H5 Cl Hg O2

Molecular weight: 357.156

Hydrogen Bond Acceptor:

Hydrogen Bond Donor:

Rotatable Bonds:

Heavy Atoms:

Systematic name

Program	Version	Descriptor
ACDLabs	10.04	(4-carboxyphenyl)(chloro)mercury
OpenEye OEToolkits	1.5.0	(4-carboxyphenyl)-chloro-mercury

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)c1ccc([Hg]Cl)cc1
SMILES_CANONICAL	CACTVS	3.341	OC(=O)c1ccc([Hg]Cl)cc1
SMILES	CACTVS	3.341	OC(=O)c1ccc([Hg]Cl)cc1
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1cc(ccc1C(=O)O)[Hg]Cl
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1C(=O)O)[Hg]Cl
InChI	InChI	1.03	InChI=1S/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1
InChIKey	InChI	1.03	YFZOUMNUDGGHIW-UHFFFAOYSA-M

Chemical Database Mapping

Database	Reference ID
PubChem	101590383,1730,6044
ChEBI	CHEBI:28420
SureChEMBL	30240116,53888