AG003RPQ

3441-03-0 | Methyl 3-(Chlorocarbonyl)benzoate

AG003RPQ

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CAS Number	3441-03-0
Catalog Number	AG003RPQ(AGN-PC-00POOQ)
Chemical Name	Methyl 3-(Chlorocarbonyl)benzoate
IUPAC Name	methyl 3-carbonochloridoylbenzoate
InChI	InChI=1S/C9H7ClO3/c1-13-9(12)7-4-2-3-6(5-7)8(10)11/h2-5H,1H3
InChI Key	UTGGIQHJOAPIPD-UHFFFAOYSA-N
MDL Number	MFCD09702420
Molecular Formula	C9H7ClO3
Molecular Weight	198.6031
SMILES	ClC(=O)C=1C=C(C(=O)OC)C=CC1
Synonyms	3441-03-0, Methyl 3-(Chlorocarbonyl)benzoate, Methyl 3-(chloroformyl)benzoate, Methyl3-(chloroformyl)benzoate, methyl 3-(carbonochloridoyl)benzoate, 3-(Methoxycarbonyl)benzoyl chloride, 3-chlorocarbonylbenzoic acid methyl ester, 3-Chlorocarbonyl-benzoic acid methyl ester, ACMC-1CLLN, m-Carbomethoxybenzoylchlorid, methyl 3-(carboxy)benzoate, 3-carbmethoxybenzoyl chloride, SCHEMBL39974, 3-carbomethoxybenzoyl chloride, methyl 3-chlorocarbonylbenzoate, Methyl m-(chloroformyl)benzoate, 3-methoxycarbonyl benzoylchloride, methyl 3-chlorocarbonyl-benzoate, CTK4H2351, DTXSID30574305, methyl 3-carbonochloridoylbenzoate, UTGGIQHJOAPIPD-UHFFFAOYSA-N, MFCD09702420, SBB065172, ZINC12370904, AKOS015890615, NE37917, RP04173, DB-068999, Methyl 3-(chlorocarbonyl)benzoate, >=97%, TC-166240, A6062, FT-0652849, Y8802, Benzoic acid,3-(chlorocarbonyl)-, methyl ester, 34532-EP2301536A1, 34532-EP2301538A1, 34532-EP2311455A1, 34537-EP2301536A1, 34537-EP2301538A1, 34537-EP2311455A1, Benzoic acid, 3-(chlorocarbonyl)-, methyl ester, I01-7187, I01-9197, J-019592, J-522096, METHYL3- BENZOATE, C9H7ClO3,

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	2.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H314-H317
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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