AG003L30

153556-55-9 | 4-Chloro-2-fluoro-3-methylbenzoic acid

AG003L30

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CAS Number	153556-55-9
Catalog Number	AG003L30(AGN-PC-00OUVQ)
Chemical Name	4-Chloro-2-fluoro-3-methylbenzoic acid
IUPAC Name	4-chloro-2-fluoro-3-methylbenzoic acid
InChI	InChI=1S/C8H6ClFO2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	COXKHUZMLXVVTE-UHFFFAOYSA-N
MDL Number	MFCD17169808
Molecular Formula	C8H6ClFO2
Molecular Weight	188.5834
SMILES	O=C(O)C1=CC=C(Cl)C(C)=C1F
Synonyms	4-chloro-2-fluoro-3-methylbenzoic acid, 153556-55-9, 4-CHLORO-2-FLUORO-3-METHYL-BENZOIC ACID, SCHEMBL7573655, COXKHUZMLXVVTE-UHFFFAOYSA-N, MFCD17169808, ZINC34528836, AKOS023100401, KS-000002F3, AK545113, DS-19368, CS-0061147, 4-chloro-2-fluoro-3-methylbenzoicacid,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	188.004g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	188.582g/mol
Monoisotopic Mass	188.004g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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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