AG003J07

56961-27-4 | 3-Bromo-2-chlorobenzoic acid

AG003J07

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CAS Number	56961-27-4
Catalog Number	AG003J07(AGN-PC-0WA85C)
Chemical Name	3-Bromo-2-chlorobenzoic acid
IUPAC Name	3-bromo-2-chlorobenzoic acid
InChI	InChI=1S/C7H4BrClO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3H,(H,10,11)
InChI Key	LNURMIDMOXCNEH-UHFFFAOYSA-N
MDL Number	MFCD01569399
Molecular Formula	C7H4BrClO2
Molecular Weight	235.4625
SMILES	BrC1=CC=CC(=C1Cl)C(=O)O
Synonyms	3-bromo-2-chlorobenzoic acid, 56961-27-4, 2-Chloro-3-bromobenzoic acid, KSC494A9R, SCHEMBL156051, AC1L1P05, CTK3J4098, DTXSID80275017, BUTTPARK 22\01-99, LNURMIDMOXCNEH-UHFFFAOYSA-N, ACT07339, ZINC2013308, 3-bromanyl-2-chloranyl-benzoic acid, ANW-49591, CL8067, MFCD01569399, AKOS015889368, AS03130, CC-1597, CS-W005002, MCULE-7955450364, SS-4589, TRA0000142, AC-28708, AJ-32543, AK-41763, BC005247, BR-41763, SC-36774, SY024817, AB0033966, RT-001861, 4CH-000827, FT-0658984, ST24028424, X8043, KS-00000207, S-3950, MFCD01569399 (95+%), A831259, I01-1831, Z1741972565, C7H4BrClO2, 3-Bromo-2-chlorobenzoicacid, 3-bromo-2-chloro-benzoic Acid, Benzoic acid, 3-bromo-2-chloro-, CID33124, Benzoic acid,bromochloro- (8CI,9CI), ACN-052123, 25638-14-6,

Complexity	163
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.908g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	235.461g/mol
Monoisotopic Mass	233.908g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

Lot Number