AG0025P3

177985-34-1 | Benzeneacetic acid, 5-bromo-2-chloro-

AG0025P3

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CAS Number	177985-34-1
Catalog Number	AG0025P3(AGN-PC-00PHUR)
Chemical Name	Benzeneacetic acid, 5-bromo-2-chloro-
IUPAC Name	2-(5-bromo-2-chlorophenyl)acetic acid
InChI	InChI=1S/C8H6BrClO2/c9-6-1-2-7(10)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key	UZYYQYJXBQXUDT-UHFFFAOYSA-N
MDL Number	MFCD18390584
Molecular Formula	C8H6BrClO2
Molecular Weight	249.4890
SMILES	OC(=O)CC1=C(Cl)C=CC(Br)=C1
Synonyms	2-(5-BROMO-2-CHLOROPHENYL)ACETIC ACID, 177985-34-1, 5-Bromo-2-chlorophenylacetic acid, Benzeneacetic acid, 5-bromo-2-chloro-, SCHEMBL154416, CTK8C0674, KS-00000QBR, DTXSID90573511, UZYYQYJXBQXUDT-UHFFFAOYSA-N, (5-Bromo-2-chlorophenyl)acetic acid, ANW-65074, MFCD18390584, ZINC34574750, AKOS016005099, AM83235, CS-W006149, DS-4024, MP-0600, AJ-89436, AK103141, AB0065779, TC-153819, 4CH-011942, ST24021793, Z4301, C8H6BrClO2, 2-(5-Bromo-2-chlorophenyl)aceticacid,

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-P305+P351+P338
UN Code

Certificate of Analysis

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