AG001XIS

167678-46-8 | Benzoyl chloride, 3-(acetyloxy)-2-methyl-

AG001XIS

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CAS Number	167678-46-8
Catalog Number	AG001XIS(AGN-PC-0LW5JG)
Chemical Name	Benzoyl chloride, 3-(acetyloxy)-2-methyl-
IUPAC Name	(3-carbonochloridoyl-2-methylphenyl) acetate
InChI	InChI=1S/C10H9ClO3/c1-6-8(10(11)13)4-3-5-9(6)14-7(2)12/h3-5H,1-2H3
InChI Key	COLDUSGLGQXXEJ-UHFFFAOYSA-N
MDL Number	MFCD02094037
Molecular Formula	C10H9ClO3
Molecular Weight	212.6297
SMILES	O=C(Cl)C1=CC=CC(OC(C)=O)=C1C
Synonyms	3-Acetoxy-2-methylbenzoyl Chloride, 167678-46-8, 3-(Chlorocarbonyl)-2-methylphenyl Acetate, MFCD02094037, ACMC-1C4MD, AC1Q1L9U, SCHEMBL414201, CTK3J6086, DTXSID50426635, 3-Acetoxy-2-methylbenzoylchloride, COLDUSGLGQXXEJ-UHFFFAOYSA-N, ZINC2389458, 3-ACETOXY-O-TOLUOYL CHLORIDE, ANW-22305, SBB067902, 3-Acetoxy-2-Methyl-Benzoyl Chloride, AKOS015889724, AB10883, FCH1320649, LS11707, VZ26209, 2-Methyl-3-acetoxybenzoic acid chloride, KS-000012Y2, 3-(Chlorocarbonyl)-2-methylphenylAcetate, AN-31003, CC-13909, Benzoyl chloride,3-(acetyloxy)-2-methyl-, (3-chlorocarbonyl-2-methyl-phenyl) acetate, DB-006318, RT-002861, FT-0602387, V0562, (3-carbonochloridoyl-2-methyl-phenyl) ethanoate, 3-(ACETYLOXY)-2-METHYL-BENZOYL CHLORIDE, A810892, acetic acid 3-chlorocarbonyl-2-methyl-phenyl ester, Acetic Acid 3-Chlorocarbonyl-2-methylphenyl Ester, C-11175, Acetic Acid 3-(Chlorocarbonyl)-2-methylphenyl Ester, I01-3271, J-010385, acetic acid (3-carbonochloridoyl-2-methylphenyl) ester, ZINC02389458, CID7010345, (3-(Chlorocarbonyl)-2-methylphenyl)acetate, C2531, EC 433-690-0, Benzoyl chloride, 3-(acetyloxy)-2-methyl- (9CI), 3-Acetoxy-2-methylbenzoyl chloride, 99% - 25G 25g,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.024g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	212.629g/mol
Monoisotopic Mass	212.024g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H290-H314-H317
Packing Group	Ⅱ
Precautionary statements	P234-P260-P264-P272-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P390-P405-P406-P501
UN Code	UN 3261

Certificate of Analysis

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