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821776-80-1 | Benzenamine, N-(1-methylpropyl)-4-nitro-N-propyl-3-(trifluoromethyl)-
CAS No: 821776-80-1 Catalog No: AG005ITQ MDL No:
Product Description
Catalog Number:
AG005ITQ
Chemical Name:
Benzenamine, N-(1-methylpropyl)-4-nitro-N-propyl-3-(trifluoromethyl)-
CAS Number:
821776-80-1
Molecular Formula:
C14H19F3N2O2
Molecular Weight:
304.3081
IUPAC Name:
N-butan-2-yl-4-nitro-N-propyl-3-(trifluoromethyl)aniline
InChI:
InChI=1S/C14H19F3N2O2/c1-4-8-18(10(3)5-2)11-6-7-13(19(20)21)12(9-11)14(15,16)17/h6-7,9-10H,4-5,8H2,1-3H3
InChI Key:
YJPJORVSHPMZEY-UHFFFAOYSA-N
SMILES:
CCCN(c1ccc(c(c1)C(F)(F)F)[N+](=O)[O-])C(CC)C
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.14g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.313g/mol
Monoisotopic Mass:
304.14g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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