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821777-07-5 | Benzenamine, N-cyclohexyl-N-ethyl-4-nitro-3-(trifluoromethyl)-
CAS No: 821777-07-5 Catalog No: AG005ITI MDL No:
Product Description
Catalog Number:
AG005ITI
Chemical Name:
Benzenamine, N-cyclohexyl-N-ethyl-4-nitro-3-(trifluoromethyl)-
CAS Number:
821777-07-5
Molecular Formula:
C15H19F3N2O2
Molecular Weight:
316.3188
IUPAC Name:
N-cyclohexyl-N-ethyl-4-nitro-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C15H19F3N2O2/c1-2-19(11-6-4-3-5-7-11)12-8-9-14(20(21)22)13(10-12)15(16,17)18/h8-11H,2-7H2,1H3
InChI Key:
AOSBEPSTUADZFQ-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])C1CCCCC1
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.14g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.324g/mol
Monoisotopic Mass:
316.14g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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