AG002X12

289039-49-2 | Benzoic acid, 4,5-dichloro-2-fluoro-

AG002X12

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CAS Number	289039-49-2
Catalog Number	AG002X12(AGN-PC-0KKVUU)
Chemical Name	Benzoic acid, 4,5-dichloro-2-fluoro-
IUPAC Name	4,5-dichloro-2-fluorobenzoic acid
InChI	InChI=1S/C7H3Cl2FO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,(H,11,12)
InChI Key	XFOJZPTYJMXNKK-UHFFFAOYSA-N
MDL Number	MFCD00672988
Molecular Formula	C7H3Cl2FO2
Molecular Weight	209.0019
SMILES	ClC1=CC(=C(C(=O)O)C=C1Cl)F
Synonyms	4,5-dichloro-2-fluorobenzoic acid, 289039-49-2, 4,5-dichloro-2-fluoro-benzoic Acid, Benzoicacid, 4,5-dichloro-2-fluoro-, PubChem4615, AC1MCNT2, SCHEMBL14331830, CTK1A1493, DTXSID30378840, XFOJZPTYJMXNKK-UHFFFAOYSA-N, ACT12209, KS-00000J8W, ZINC2567856, ANW-49466, CK1083, MFCD00672988, SBB094135, AKOS015850096, AS02480, CS-W022046, PS-8030, RP26472, Benzoic acid, 4,5-dichloro-2-fluoro-, AC-26036, AJ-41500, AK-29091, BC227472, BR-29091, SY030903, AB0030599, DB-068026, TR-012676, 4CH-009824, AM20060007, FT-0649391, ST24028681, X2807, MFCD00672988 (95%), A20282, S-2410, J-514081, C7H3Cl2FO2, 4,5-Dichloro-2-fluorobenzoicacid, CID2774015,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	207.949g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	208.997g/mol
Monoisotopic Mass	207.949g/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
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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