AG005YD3

957207-58-8 | Methyl 4-bromo-2-(trifluoromethyl)benzoate

AG005YD3

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CAS Number	957207-58-8
Catalog Number	AG005YD3(AGN-PC-07QVAT)
Chemical Name	Methyl 4-bromo-2-(trifluoromethyl)benzoate
IUPAC Name	methyl 4-bromo-2-(trifluoromethyl)benzoate
InChI	InChI=1S/C9H6BrF3O2/c1-15-8(14)6-3-2-5(10)4-7(6)9(11,12)13/h2-4H,1H3
InChI Key	PFBLWQAOLPCMIJ-UHFFFAOYSA-N
MDL Number	MFCD12761599
Molecular Formula	C9H6BrF3O2
Molecular Weight	283.0419
SMILES	COC(=O)C1=C(C=C(Br)C=C1)C(F)(F)F
Synonyms	METHYL 4-BROMO-2-(TRIFLUOROMETHYL)BENZOATE, 957207-58-8, 4-Bromo-2-(trifluoromethyl)benzoic acid methyl ester, Methyl4-bromo-2-(trifluoromethyl)benzoate, SCHEMBL516822, AMBZ0345, CTK8C4153, DTXSID20673199, PFBLWQAOLPCMIJ-UHFFFAOYSA-N, ACT13382, ANW-71139, MFCD12761599, ZINC47202254, AKOS016008004, CS-W022845, DS-4265, KS-000019Q7, AK104633, AM804615, AJ-110611, Methyl-4-Bromo-2-(trifluoromethyl)benzoate, ST2407244, TC-159884, 4CH-018491, FT-0727864, Z1198, Q-7951, 4-bromo-2-trifluoromethylbenzoic acid methyl ester, Z1602230687, C9H6BrF3O2,

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	H227-H315-H319-H335
Packing Group
Precautionary statements	P305+P351+P338
UN Code

Certificate of Analysis

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