AG001FHL

14815-87-3 | Benzoic acid, 4-​(trichloromethyl)​-​, methyl ester

AG001FHL

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CAS Number	14815-87-3
Catalog Number	AG001FHL(AGN-PC-0JLV89)
Chemical Name	Benzoic acid, 4-​(trichloromethyl)​-​, methyl ester
EC Number	238-886-8
IUPAC Name	methyl 4-(trichloromethyl)benzoate
InChI	InChI=1S/C9H7Cl3O2/c1-14-8(13)6-2-4-7(5-3-6)9(10,11)12/h2-5H,1H3
InChI Key	PWFPDRYHJFGZDV-UHFFFAOYSA-N
MDL Number	MFCD00511226
Molecular Formula	C9H7Cl3O2
Molecular Weight	253.5097
SMILES	C(Cl)(Cl)(Cl)c1ccc(cc1)C(=O)OC
Synonyms	methyl 4-(trichloromethyl)benzoate, 14815-87-3, Methyl p-(trichloromethyl)benzoate, 4-trichloromethylbenzoic acid methyl ester, EINECS 238-886-8, AC1Q3GSD, AC1L37XP, Methyl 4-trichloromethylbenzoate, SCHEMBL11452165, DTXSID90163890, PWFPDRYHJFGZDV-UHFFFAOYSA-N, ZINC5701022, CK1188, MFCD00511226, AKOS015995363, AS01239, FCH1331567, AJ-54591, AB0068017, AX8258014, 4CH-022343, CS-0061846, ST24047884, Benzoic acid, 4-(trichloromethyl)-, methyl ester, C9-H7-Cl3-O2, CID84661, AR-1J5294, Benzoic acid,4-(trichloromethyl)-, methyl ester, 15049-85-1,

Complexity	205
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.951g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	253.503g/mol
Monoisotopic Mass	251.951g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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