AG001MN2

150444-94-3 | Benzoic acid, 4-chloro-2,3-difluoro-

AG001MN2

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CAS Number	150444-94-3
Catalog Number	AG001MN2(AGN-PC-00331S)
Chemical Name	Benzoic acid, 4-chloro-2,3-difluoro-
IUPAC Name	4-chloro-2,3-difluorobenzoic acid
InChI	InChI=1S/C7H3ClF2O2/c8-4-2-1-3(7(11)12)5(9)6(4)10/h1-2H,(H,11,12)
InChI Key	QVBXFZBWNWTMNO-UHFFFAOYSA-N
MDL Number	MFCD07368122
Molecular Formula	C7H3ClF2O2
Molecular Weight	192.5473
SMILES	O=C(O)C1=CC=C(Cl)C(F)=C1F
Synonyms	4-Chloro-2,3-difluorobenzoic acid, 150444-94-3, Benzoic acid, 4-chloro-2,3-difluoro-, AK113235, 4-CHLORO-2,3-DIFLUORO-BENZOIC ACID, PubChem4744, 4-CHLORO-2,3-DIFLUOROBENZOICACID, SCHEMBL20721983, CTK8H0325, DTXSID60565923, ABLOCK AB-12-7056, DT1218, FCH855158, MFCD07368122, ZINC14984794, AKOS006284569, AB31744, AM62244, CC-1730, DS-2773, LF10794, MP-1425, KS-00000O13, AC-14783, ACM150444943, AJ-66223, PC303121, AB0065358, AX8095642, ST2418244, 4CH-015873, FT-0655455, Z4194, A20206, I01-5810, C7H3ClF2O2, 4-Chloro-2-methoxy-6-nitro-1-methylbenzene,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	191.979g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	192.546g/mol
Monoisotopic Mass	191.979g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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