2BR

2-BROMOPHENOL

Created:	2005-08-03
Last modified:	2020-06-05

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1 entries where 2BR is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	13
Chiral Atom Count	0
Bond Count	13
Aromatic Bond Count	6

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Chemical Component Summary
Name	2-BROMOPHENOL
Synonyms	BROMOPHENOL
Systematic Name (OpenEye OEToolkits)	2-bromophenol
Formula	C₆ H₅ Br O
Molecular Weight	173.007
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Brc1ccccc1O
SMILES	CACTVS	3.341	Oc1ccccc1Br
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)O)Br
Canonical SMILES	CACTVS	3.341	Oc1ccccc1Br
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc(c(c1)O)Br
InChI	InChI	1.03	InChI=1S/C6H5BrO/c7-5-3-1-2-4-6(5)8/h1-4,8H
InChIKey	InChI	1.03	VADKRMSMGWJZCF-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB04586
Name	o-Bromophenol
Groups	experimental
Synonyms	2-Bromfenol o-Bromophenol 2-Bromophenol
Categories	Benzene Derivatives
CAS number	95-56-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Thymidylate synthase	MKQYLELMQKVLDEGTQKNDRTGTGTLSIFGHQMRFNLQDGFPLVTTKRC...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682