AG002I72

189283-52-1 | Benzoic acid, 5-chloro-4-fluoro-2-hydroxy-

AG002I72

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CAS Number	189283-52-1
Catalog Number	AG002I72(AGN-PC-03KMF6)
Chemical Name	Benzoic acid, 5-chloro-4-fluoro-2-hydroxy-
IUPAC Name	5-chloro-4-fluoro-2-hydroxybenzoic acid
InChI	InChI=1S/C7H4ClFO3/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2,10H,(H,11,12)
InChI Key	DDRJDFULMKUQRV-UHFFFAOYSA-N
MDL Number	MFCD20640444
Molecular Formula	C7H4ClFO3
Molecular Weight	190.5563
SMILES	O=C(O)C1=CC(Cl)=C(F)C=C1O
Synonyms	5-chloro-4-fluoro-2-hydroxybenzoic acid, 189283-52-1, Benzoic acid, 5-chloro-4-fluoro-2-hydroxy-, SCHEMBL5511191, 5-chloro-4-fluorosalicylic acid, CTK0A3093, DTXSID90622558, DDRJDFULMKUQRV-UHFFFAOYSA-N, MFCD20640444, ZINC90685880, AKOS022178016, FCH1220114, AK145496, AM807343, AS-42831, AJ-129147, AX8269339,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.983g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	190.554g/mol
Monoisotopic Mass	189.983g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	57.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

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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