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821777-11-1 | Benzenamine, N-butyl-N-ethyl-4-nitro-3-(trifluoromethyl)-
CAS No: 821777-11-1 Catalog No: AG0057WM MDL No:
Product Description
Catalog Number:
AG0057WM
Chemical Name:
Benzenamine, N-butyl-N-ethyl-4-nitro-3-(trifluoromethyl)-
CAS Number:
821777-11-1
Molecular Formula:
C13H17F3N2O2
Molecular Weight:
290.2815
IUPAC Name:
N-butyl-N-ethyl-4-nitro-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C13H17F3N2O2/c1-3-5-8-17(4-2)10-6-7-12(18(19)20)11(9-10)13(14,15)16/h6-7,9H,3-5,8H2,1-2H3
InChI Key:
ZHBQTIUZZKRUAV-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])CC
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.124g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.286g/mol
Monoisotopic Mass:
290.124g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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