AG000RQG

1261438-67-8 | Benzeneacetic acid, 3-bromo-2-chloro-

AG000RQG

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CAS Number	1261438-67-8
Catalog Number	AG000RQG(AGN-PC-0NLI7P)
Chemical Name	Benzeneacetic acid, 3-bromo-2-chloro-
IUPAC Name	2-(3-bromo-2-chlorophenyl)acetic acid
InChI	InChI=1S/C8H6BrClO2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12)
InChI Key	IEIASDIYIMXQEK-UHFFFAOYSA-N
MDL Number	MFCD18390581
Molecular Formula	C8H6BrClO2
Molecular Weight	249.4890
SMILES	O=C(O)CC1=CC=CC(Br)=C1Cl
Synonyms	3-BROMO-2-CHLOROPHENYLACETIC ACID, 1261438-67-8, 2-(3-bromo-2-chlorophenyl)acetic acid, SCHEMBL5902835, (3-bromo-2-chlorophenyl)acetic acid, CL9124, MFCD18390581, ZINC60032040, ACN-052084, Benzeneacetic acid, 3-bromo-2-chloro-, AS-46215,

Complexity	174
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.924g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.488g/mol
Monoisotopic Mass	247.924g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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