AG0014ZC

1214386-97-6 | Benzoic acid, 3-bromo-4-(trifluoromethyl)-, ethyl ester

AG0014ZC

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CAS Number	1214386-97-6
Catalog Number	AG0014ZC(AGN-PC-0WD0WY)
Chemical Name	Benzoic acid, 3-bromo-4-(trifluoromethyl)-, ethyl ester
IUPAC Name	ethyl 3-bromo-4-(trifluoromethyl)benzoate
InChI	InChI=1S/C10H8BrF3O2/c1-2-16-9(15)6-3-4-7(8(11)5-6)10(12,13)14/h3-5H,2H2,1H3
InChI Key	WFSHWYNATMAQHP-UHFFFAOYSA-N
MDL Number	MFCD14698179
Molecular Formula	C10H8BrF3O2
Molecular Weight	297.0685
SMILES	CCOC(=O)C1=CC(Br)=C(C=C1)C(F)(F)F
Synonyms	Ethyl 3-bromo-4-(trifluoromethyl)benzoate, 1214386-97-6, ETHYL 3-BROMO-4-TRIFLUOROMETHYLBENZOATE, CTK8C3653, DTXSID80673256, 3890AA, ANW-70366, CL9020, MFCD14698179, ZINC47202677, DS-3504, AK100308, AJ-110678, AX8241263, TC-159111, ST24024893, Benzoic acid, 3-bromo-4-(trifluoromethyl)-, ethyl ester, C10H8BrF3O2, Ethyl3-bromo-4-(trifluoromethyl)benzoate,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	295.966g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	297.071g/mol
Monoisotopic Mass	295.966g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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

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