AG0008JL

113421-98-0 | Benzenamine, 4-fluoro-3-(trifluoromethoxy)-

AG0008JL

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CAS Number	113421-98-0
Catalog Number	AG0008JL(AGN-PC-03D7UL)
Chemical Name	Benzenamine, 4-fluoro-3-(trifluoromethoxy)-
IUPAC Name	4-fluoro-3-(trifluoromethoxy)aniline
InChI	InChI=1S/C7H5F4NO/c8-5-2-1-4(12)3-6(5)13-7(9,10)11/h1-3H,12H2
InChI Key	JSMGZPOPIVVIRZ-UHFFFAOYSA-N
MDL Number	MFCD09832246
Molecular Formula	C7H5F4NO
Molecular Weight	195.1143
SMILES	FC1=C(C=C(N)C=C1)OC(F)(F)F
Synonyms	4-FLUORO-3-(TRIFLUOROMETHOXY)ANILINE, 113421-98-0, Benzenamine, 4-fluoro-3-(trifluoromethoxy)-, MFCD09832246, AK109733, SCHEMBL734531, CTK7B7290, DTXSID00616347, JSMGZPOPIVVIRZ-UHFFFAOYSA-N, 2291AA, FCH834988, SBB091830, ZINC38529590, 4-fluoro-3-(trifluoromethoxy)-aniline, AKOS006282046, CS-W006332, DS-4394, 4-fluoro-3-(trifluoromethoxy)phenylamine, AJ-95472, PC500550, AX8227645, ST2405789, 4CH-017392, FT-0740182, 4-FLUORO-3-(TRIFLUORO METHOXY)ANILINE, C7H5F4NO,

Complexity	172
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.031g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	195.117g/mol
Monoisotopic Mass	195.031g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	35.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H302-H311-H315-H319-H332
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338-P310
UN Code	UN 2810

Certificate of Analysis

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