AG000USH

1306763-53-0 | Benzoic acid, 3-bromo-5-(trifluoromethoxy)-, methyl ester

AG000USH

SDS

COA

Price

$0.00

Add to Cart

Buy Now

WARNING This product is not for human or veterinary use.

CAS Number	1306763-53-0
Catalog Number	AG000USH(AGN-PC-0WRACW)
Chemical Name	Benzoic acid, 3-bromo-5-(trifluoromethoxy)-, methyl ester
IUPAC Name	methyl 3-bromo-5-(trifluoromethoxy)benzoate
InChI	InChI=1S/C9H6BrF3O3/c1-15-8(14)5-2-6(10)4-7(3-5)16-9(11,12)13/h2-4H,1H3
InChI Key	VYCKPWPOXYIYQQ-UHFFFAOYSA-N
MDL Number	MFCD09999511
Molecular Formula	C9H6BrF3O3
Molecular Weight	299.0413
SMILES	O=C(OC)C1=CC(OC(F)(F)F)=CC(Br)=C1
Synonyms	METHYL 3-BROMO-5-(TRIFLUOROMETHOXY)BENZOATE, 1306763-53-0, Benzoic acid, 3-bromo-5-(trifluoromethoxy)-, methyl ester, SCHEMBL1868624, VYCKPWPOXYIYQQ-UHFFFAOYSA-N, MFCD09999511, ZINC97756703, AS-46446, SC-42259, CS-0069293, 3-Bromo-5-trifluoromethoxybenzoic acid methylester,

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-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

Lot Number