AG008YBJ

1131587-97-7 | Methyl 5-bromo-2-methoxy-4-(trifluoromethyl)benzoate

AG008YBJ

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CAS Number	1131587-97-7
Catalog Number	AG008YBJ(AGN-PC-0WD0KC)
Chemical Name	Methyl 5-bromo-2-methoxy-4-(trifluoromethyl)benzoate
IUPAC Name	methyl 5-bromo-2-methoxy-4-(trifluoromethyl)benzoate
InChI	InChI=1S/C10H8BrF3O3/c1-16-8-4-6(10(12,13)14)7(11)3-5(8)9(15)17-2/h3-4H,1-2H3
InChI Key	XVIIEWCHQVKVDM-UHFFFAOYSA-N
MDL Number	MFCD11110856
Molecular Formula	C10H8BrF3O3
Molecular Weight	313.0679
SMILES	O=C(OC)C1=CC(Br)=C(C(F)(F)F)C=C1OC
Synonyms	methyl 5-bromo-2-methoxy-4-(trifluoromethyl)benzoate, 1131587-97-7, AK-92987, CTK8E2065, DTXSID90661003, BCP19811, 2251AA, MFCD11110856, ZINC39951728, AKOS015852281, ACN-037670, BC687182, DS-17744, AB0000021, AJ-100812, AX8225731, ST2402002, TC-067057, 4CH-003861, CS-0041038, FT-0658626, B-1898, A802808, I14-5460, methyl 5-bromanyl-2-methoxy-4-(trifluoromethyl)benzoate, 5-bromo-2-methoxy-4-(trifluoromethyl)benzoic acid methyl ester, 5-Bromo-2-methoxy-4-trifluoromethyl-benzoic acid methyl ester, C10H8BrF3O3, Methyl5-bromo-2-methoxy-4-(trifluoromethyl)benzoate,

Complexity	283
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	311.961g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	313.07g/mol
Monoisotopic Mass	311.961g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	35.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

GHS Hazard and Precautionary Statements

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

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