AG000SLF

1263274-67-4 | Benzoic acid, 5-chloro-2-fluoro-4-methyl-

AG000SLF

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CAS Number	1263274-67-4
Catalog Number	AG000SLF(AGN-PC-0C6EFA)
Chemical Name	Benzoic acid, 5-chloro-2-fluoro-4-methyl-
IUPAC Name	5-chloro-2-fluoro-4-methylbenzoic acid
InChI	InChI=1S/C8H6ClFO2/c1-4-2-7(10)5(8(11)12)3-6(4)9/h2-3H,1H3,(H,11,12)
InChI Key	YNXLNFQOANWRQC-UHFFFAOYSA-N
MDL Number	MFCD18426002
Molecular Formula	C8H6ClFO2
Molecular Weight	188.5834
SMILES	CC1=C(Cl)C=C(C(O)=O)C(F)=C1
Synonyms	5-Chloro-2-fluoro-4-methylbenzoic acid, 1263274-67-4, 5-Chloro-2-fluoro-4-methyl-benzoic acid, Benzoic acid, 5-chloro-2-fluoro-4-methyl-, PubChem23768, SCHEMBL364854, DTXSID80728694, YNXLNFQOANWRQC-UHFFFAOYSA-N, 3182AJ, CL9131, MFCD18426002, ZINC75629665, AKOS017516509, QC-7513, XF10088, AS-46217, AB0087623, AJ-121881, Z-6057, C8H6ClFO2,

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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