AG00D8YL

535961-78-5 | Benzoyl chloride, 2-fluoro-6-methyl- (9CI)

AG00D8YL

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CAS Number	535961-78-5
Catalog Number	AG00D8YL(AGN-PC-07AB6Y)
Chemical Name	Benzoyl chloride, 2-fluoro-6-methyl- (9CI)
IUPAC Name	2-fluoro-6-methylbenzoyl chloride
InChI	InChI=1S/C8H6ClFO/c1-5-3-2-4-6(10)7(5)8(9)11/h2-4H,1H3
InChI Key	MMGLVQRGMPQKLH-UHFFFAOYSA-N
MDL Number	MFCD06660278
Molecular Formula	C8H6ClFO
Molecular Weight	172.5840
SMILES	O=C(Cl)C1=C(C)C=CC=C1F
Synonyms	2-Fluoro-6-methylbenzoyl chloride, 535961-78-5, BENZOYL CHLORIDE, 2-FLUORO-6-METHYL-, Benzoyl chloride, 2-fluoro-6-methyl- (9CI), SCHEMBL14879691, DTXSID30664593, MMGLVQRGMPQKLH-UHFFFAOYSA-N, 2-Fluoro-6-methyl-benzoyl chloride, CL8579, MFCD06660278, ZINC39056338, AKOS006346549, ACN-056207, AM82951, CM12764, AS-46053, SC-57551, DB-003898, BENZOYL CHLORIDE,2-FLUORO-6-METHYL-, FT-0721141, I01-7491, 2-INDANONE, 2-fluoro-6-methylbenzoylchloride, Benzoylchloride,2-fluoro-6-methyl-, A11668,

Complexity	160
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	172.009g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	172.583g/mol
Monoisotopic Mass	172.009g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 3265

Certificate of Analysis

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