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821776-84-5 | Benzenamine, N,N-dibutyl-4-nitro-3-(trifluoromethyl)-
CAS No: 821776-84-5 Catalog No: AG005ITO MDL No:
Product Description
Catalog Number:
AG005ITO
Chemical Name:
Benzenamine, N,N-dibutyl-4-nitro-3-(trifluoromethyl)-
CAS Number:
821776-84-5
Molecular Formula:
C15H21F3N2O2
Molecular Weight:
318.3346
IUPAC Name:
N,N-dibutyl-4-nitro-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C15H21F3N2O2/c1-3-5-9-19(10-6-4-2)12-7-8-14(20(21)22)13(11-12)15(16,17)18/h7-8,11H,3-6,9-10H2,1-2H3
InChI Key:
XPVBGSXXSDGBDV-UHFFFAOYSA-N
SMILES:
CCCCN(c1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])CCCC
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.156g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.34g/mol
Monoisotopic Mass:
318.156g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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