AG00G70F

842136-32-7 | Benzoic acid,5-broMo-2-(trifluoroMethyl)-,Methyl ester

AG00G70F

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CAS Number	842136-32-7
Catalog Number	AG00G70F(AGN-PC-07QVAU)
Chemical Name	Benzoic acid,5-broMo-2-(trifluoroMethyl)-,Methyl ester
IUPAC Name	methyl 5-bromo-2-(trifluoromethyl)benzoate
InChI	InChI=1S/C9H6BrF3O2/c1-15-8(14)6-4-5(10)2-3-7(6)9(11,12)13/h2-4H,1H3
InChI Key	NAYMMKZHAIWOSK-UHFFFAOYSA-N
MDL Number	MFCD14697999
Molecular Formula	C9H6BrF3O2
Molecular Weight	283.0419
SMILES	C(F)(F)(F)c1c(C(=O)OC)cc(cc1)Br
Synonyms	Methyl 5-bromo-2-(trifluoromethyl)benzoate, 842136-32-7, Methyl 5-Bromo-2-trifluoromethylbenzoate, Benzoic acid,5-bromo-2-(trifluoromethyl)-,methyl ester, AK-64286, SCHEMBL155135, DTXSID70673200, CL9136, MFCD14697999, ZINC47202255, AKOS016006019, CS-W022861, CJ-20551, DS-15406, PC500761, SY039038, AB0069454, AJ-110612, AX8211826, 4CH-010326, FT-0713542, ST24031130, MFCD14697999 (95%), Benzoic acid, 5-bromo-2-(trifluoromethyl)-, methyl ester, 5-BROMO-2-(TRIFLUOROMETHYL)BENZOIC ACID METHYL ESTER, Methyl5-bromo-2-(trifluoromethyl)benzoate,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.95g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	283.044g/mol
Monoisotopic Mass	281.95g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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