AG003TFK

5538-51-2 | 2-(Chlorocarbonyl)phenyl acetate

AG003TFK

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CAS Number	5538-51-2
Catalog Number	AG003TFK(AGN-PC-0JLS5T)
Chemical Name	2-(Chlorocarbonyl)phenyl acetate
EC Number	226-899-1
IUPAC Name	(2-carbonochloridoylphenyl) acetate
InChI	InChI=1S/C9H7ClO3/c1-6(11)13-8-5-3-2-4-7(8)9(10)12/h2-5H,1H3
InChI Key	DSGKWFGEUBCEIE-UHFFFAOYSA-N
MDL Number	MFCD00000663
Molecular Formula	C9H7ClO3
Molecular Weight	198.6031
NSC Number	97216
SMILES	C(=O)(Cl)c1c(OC(=O)C)cccc1
Synonyms	2-Acetoxybenzoyl chloride, 5538-51-2, o-Acetylsalicyloyl chloride, Acetylsalicyloyl chloride, 2-(Chlorocarbonyl)phenyl acetate, Benzoyl chloride, 2-(acetyloxy)-, Aspirin chloride, o-Acetylsalicyloylchloride, Acetylsalicoyl chloride, O-Acetylsalicylryl chloride, DSGKWFGEUBCEIE-UHFFFAOYSA-N, 2-(carbonochloridoyl)phenyl acetate, MFCD00000663, EINECS 226-899-1, NSC 97216, ASCC, acetylsalicylic chloride, o-acetoxybenzoylchloride, acetylsalicylsaurechlorid, PubChem17106, 2-acetoxybenzoylchloride, o-Acetoxybenzoyl chloride, o-Acetylsalicoyl chloride, AC1L2XVO, acetyl salicyloyl chloride, O-Acetylsalicylrylchloride, Acetyl-salicyloyl chloride, 2-acetoxy benzoyl chloride, AC1Q1L9Z, AC1Q61PW, acetylsalicylic acid chloride, acetyl salicylic acid chloride, SCHEMBL133699, 2-acetoxybenzoic acid chloride, acetyl salicyclic acid chloride, ACETYLSALICYCLOYL CHLORIDE, (2-chlorocarbonylphenyl) acetate, KS-00000VDP, DTXSID10203924, 2-(chlorocarbonyl)-phenyl acetate, O-Acetylsalicyloyl chloride, 95%, (2-carbonochloridoylphenyl) acetate, 2-(Chlorocarbonyl)phenyl acetate #, NSC97216, ZINC1627238, ANW-41579, NSC-97216, SBB058712, AKOS000276274, MCULE-4612770101, AN-19113, CJ-26231, SC-62315, U425, DB-020320, TL8003616, FT-0635765, ST50214065, 11321-EP2308479A2, 11321-EP2316827A1, W-105567, I01-10377, C9H7ClO3, C9-H7-Cl-O3, CID79668, AR-1H6486, 5-hydroxy-1H-imidazole-4-carboxamide, A1917, A8139, 56973-26-3,

Complexity	215
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	198.008g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	198.602g/mol
Monoisotopic Mass	198.008g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	43.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P260-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

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