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10156-71-5 | Benzenamine, N,N-bis(1-methylpropyl)-2,6-dinitro-4-(trifluoromethyl)-
CAS No: 10156-71-5 Catalog No: AG0004SN MDL No:
Product Description
Catalog Number:
AG0004SN
Chemical Name:
Benzenamine, N,N-bis(1-methylpropyl)-2,6-dinitro-4-(trifluoromethyl)-
CAS Number:
10156-71-5
Molecular Formula:
C15H20F3N3O4
Molecular Weight:
363.3322
IUPAC Name:
N,N-di(butan-2-yl)-2,6-dinitro-4-(trifluoromethyl)aniline
InChI:
InChI=1S/C15H20F3N3O4/c1-5-9(3)19(10(4)6-2)14-12(20(22)23)7-11(15(16,17)18)8-13(14)21(24)25/h7-10H,5-6H2,1-4H3
InChI Key:
KNTOUMMLMPJOSR-UHFFFAOYSA-N
SMILES:
CCC(N(c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])C(CC)C)C
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.141g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.337g/mol
Monoisotopic Mass:
363.141g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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