AG008YBI

1131594-45-0 | Methyl 3-bromo-4-(trifluoromethoxy)benzoate

AG008YBI

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CAS Number	1131594-45-0
Catalog Number	AG008YBI(AGN-PC-0WD1A9)
Chemical Name	Methyl 3-bromo-4-(trifluoromethoxy)benzoate
IUPAC Name	methyl 3-bromo-4-(trifluoromethoxy)benzoate
InChI	InChI=1S/C9H6BrF3O3/c1-15-8(14)5-2-3-7(6(10)4-5)16-9(11,12)13/h2-4H,1H3
InChI Key	FUGFQIWUUXHAFM-UHFFFAOYSA-N
MDL Number	MFCD11110912
Molecular Formula	C9H6BrF3O3
Molecular Weight	299.0413
SMILES	O=C(OC)C1=CC=C(OC(F)(F)F)C(Br)=C1
Synonyms	methyl 3-bromo-4-(trifluoromethoxy)benzoate, 1131594-45-0, SCHEMBL4314290, DTXSID40662404, FUGFQIWUUXHAFM-UHFFFAOYSA-N, 2253AA, MFCD11110912, ZINC39951940, AKOS015852104, AK-93230, AS-46246, DA-15388, AB0000129, AJ-101020, AX8250287, methyl-3-bromo-4-(trifluoromethoxy)benzoate, ST2401994, TC-067287, 4CH-019422, CS-0087897, FT-0735148, S-0148, C9H6BrF3O3, Methyl3-bromo-4-(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	3.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number