AG000KAJ

1233055-24-7 | 2-Propenoic acid, 3-(4-bromo-2-chlorophenyl)-

AG000KAJ

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CAS Number	1233055-24-7
Catalog Number	AG000KAJ(AGN-PC-0WCZM4)
Chemical Name	2-Propenoic acid, 3-(4-bromo-2-chlorophenyl)-
IUPAC Name	(E)-3-(4-bromo-2-chlorophenyl)prop-2-enoic acid
InChI	InChI=1S/C9H6BrClO2/c10-7-3-1-6(8(11)5-7)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChI Key	IQASDWBWCLYMJB-DUXPYHPUSA-N
MDL Number	MFCD06797907
Molecular Formula	C9H6BrClO2
Molecular Weight	261.4997
SMILES	O=C(O)/C=C/C1=CC=C(Br)C=C1Cl
Synonyms	3-(4-Bromo-2-chlorophenyl)acrylic acid, 1233055-24-7, 4-Bromo-2-chlorocinnamic acid, 2-ropenoic acid, 3-(4-romo-2-hlorophenyl)-, (2E)-3-(4-BROMO-2-CHLOROPHENYL)PROP-2-ENOIC ACID, 2-PROPENOIC ACID, 3-(4-BROMO-2-CHLOROPHENYL)-, SCHEMBL16634243, DTXSID90680698, 4455AA, MFCD06797907, ZINC63772423, AKOS016000281, AS06036, CM13575, FCH1382418, FCH3288836, BBV-51195064, SC-28764, AJ-114540, AX8161152, CS-0038970, (E)-3-(4-bromo-2-chlorophenyl)acrylic acid, C9H6BrClO2,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Exact Mass	259.924g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	261.499g/mol
Monoisotopic Mass	259.924g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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