AG003794

393-80-6 | 3-Nitro-4-(trifluoromethyl)aniline

AG003794

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CAS Number	393-80-6
Catalog Number	AG003794(AGN-PC-00Z98K)
Chemical Name	3-Nitro-4-(trifluoromethyl)aniline
IUPAC Name	3-nitro-4-(trifluoromethyl)aniline
InChI	InChI=1S/C7H5F3N2O2/c8-7(9,10)5-2-1-4(11)3-6(5)12(13)14/h1-3H,11H2
InChI Key	ZDZNJYXHGWSWTN-UHFFFAOYSA-N
MDL Number	MFCD00047714
Molecular Formula	C7H5F3N2O2
Molecular Weight	206.1220
SMILES	Nc1ccc(c(c1)[N+](=O)[O-])C(F)(F)F
Synonyms	3-NITRO-4-(TRIFLUOROMETHYL)ANILINE, 393-80-6, 3-Nitro-4-trifluoromethyl-phenylamine, 3-NITRO-4-TRIFLUOROMETHYLANILINE, 3-NITRO-4-(TRIFLUOROMETHYL)BENZENAMINE, Benzenamine, 3-nitro-4-(trifluoromethyl)-, 4-Amino-2-nitrobenzotrifluoride, PubChem10089, SCHEMBL2979148, CTK8B8257, DTXSID70586063, ZDZNJYXHGWSWTN-UHFFFAOYSA-N, KS-000010CY, ZINC2563272, 5150AB, ACM393806, ANW-59782, CL8436, MFCD00047714, AKOS002236232, AS05400, CM11518, FCH1329552, AC-28686, AJ-40792, AK-37433, AS-46030, BC686426, AB0087433, AX8088478, TC-148527, 4CH-021617, ST24042373, 93N113, X-3671, A824532, 3-Nitro-4-(trifluoromethyl)aniline[4-Amino-2-nitrobenzotrifluoride], C7H5F3N2O2, 4-Nitro-3-trifluoromethyl aniline, 393-11-3,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	206.03g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	206.124g/mol
Monoisotopic Mass	206.03g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	71.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

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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