AG000RWQ

1261643-24-6 | 4-Bromo-3-chlorobenzeneacetic acid

AG000RWQ

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CAS Number	1261643-24-6
Catalog Number	AG000RWQ(AGN-PC-03GGSV)
Chemical Name	4-Bromo-3-chlorobenzeneacetic acid
IUPAC Name	2-(4-bromo-3-chlorophenyl)acetic acid
InChI	InChI=1S/C8H6BrClO2/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key	RMGCJLITIJXUAB-UHFFFAOYSA-N
MDL Number	MFCD18390583
Molecular Formula	C8H6BrClO2
Molecular Weight	249.4890
SMILES	BrC1=C(C=C(C=C1)CC(=O)O)Cl
Synonyms	1261643-24-6, 2-(4-bromo-3-chlorophenyl)acetic acid, 4-BROMO-3-CHLOROPHENYLACETIC ACID, Benzeneacetic acid, 4-bromo-3-chloro-, SCHEMBL5145636, MFCD18390583, ZINC78710634, AKOS023462966, MCULE-2709276564, NE44612, AS-46403, Z1799834362,

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	2.6

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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