AG000FMY

1150114-81-0 | Benzoic acid, 2-bromo-5-(trifluoromethoxy)-, methyl ester

AG000FMY

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CAS Number	1150114-81-0
Catalog Number	AG000FMY(AGN-PC-0WAJQY)
Chemical Name	Benzoic acid, 2-bromo-5-(trifluoromethoxy)-, methyl ester
IUPAC Name	methyl 2-bromo-5-(trifluoromethoxy)benzoate
InChI	InChI=1S/C9H6BrF3O3/c1-15-8(14)6-4-5(2-3-7(6)10)16-9(11,12)13/h2-4H,1H3
InChI Key	IETHWZNVMZUZKC-UHFFFAOYSA-N
MDL Number	MFCD12025999
Molecular Formula	C9H6BrF3O3
Molecular Weight	299.0413
SMILES	O=C(OC)C1=CC(OC(F)(F)F)=CC=C1Br
Synonyms	Methyl 2-bromo-5-(trifluoromethoxy)benzoate, 1150114-81-0, ACMC-2099nf, SCHEMBL20594585, CTK4A9060, DTXSID10448979, ANW-16777, MFCD12025999, ZINC38537480, AKOS015834892, RTR-002775, AJ-96140, CJ-19471, AX8251485, TR-002775, CS-0084359, Z7561, A-5083, 2-Bromo-5-(trifluoromethoxy)benzoic acid methyl ester, I01-10713, Benzoic acid, 2-bromo-5-(trifluoromethoxy)-, methyl ester, C9H6BrF3O3, CID10935425, METHYL2-BROMO-5-(TRIFLUOROMETHOXY)BENZOATE,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	297.945g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	299.043g/mol
Monoisotopic Mass	297.945g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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