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Home > Nitro Compounds > 88460-97-3
88460-97-3 | Pentanamide, N-cyclohexyl-5-nitro-4-(nitromethyl)-
CAS No: 88460-97-3 Catalog No: AG004F99 MDL No:
Product Description
Catalog Number:
AG004F99
Chemical Name:
Pentanamide, N-cyclohexyl-5-nitro-4-(nitromethyl)-
CAS Number:
88460-97-3
Molecular Formula:
C12H21N3O5
Molecular Weight:
287.3122
IUPAC Name:
N-cyclohexyl-5-nitro-4-(nitromethyl)pentanamide
InChI:
InChI=1S/C12H21N3O5/c16-12(13-11-4-2-1-3-5-11)7-6-10(8-14(17)18)9-15(19)20/h10-11H,1-9H2,(H,13,16)
InChI Key:
COXTWEADHWALHY-UHFFFAOYSA-N
SMILES:
O=C(NC1CCCCC1)CCC(C[N+](=O)[O-])C[N+](=O)[O-]
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.148g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.316g/mol
Monoisotopic Mass:
287.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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