AG000BHX

1160573-19-2 | Benzoic acid, 4-chloro-3,5-difluoro-

AG000BHX

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CAS Number	1160573-19-2
Catalog Number	AG000BHX(AGN-PC-0WANLT)
Chemical Name	Benzoic acid, 4-chloro-3,5-difluoro-
IUPAC Name	4-chloro-3,5-difluorobenzoic acid
InChI	InChI=1S/C7H3ClF2O2/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2H,(H,11,12)
InChI Key	PVIHLHXXVCVGTP-UHFFFAOYSA-N
MDL Number	MFCD11554154
Molecular Formula	C7H3ClF2O2
Molecular Weight	192.5473
SMILES	O=C(O)C1=CC(F)=C(Cl)C(F)=C1
Synonyms	4-Chloro-3,5-difluorobenzoic acid, 1160573-19-2, SCHEMBL1001361, KS-00000YWR, MFCD11554154, ZINC36532789, AKOS006315674, JS-5100, Benzoic acid, 4-chloro-3,5-difluoro-, AJ-93072, AB0008591, Z-2542, C7H3ClF2O2,

Complexity	176
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	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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