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Home > Nitro Compounds > 85690-35-3
85690-35-3 | [1,1'-Bicyclohexyl]-1-carbonitrile, 1'-nitro-
CAS No: 85690-35-3 Catalog No: AG004T4U MDL No:
Product Description
Catalog Number:
AG004T4U
Chemical Name:
[1,1'-Bicyclohexyl]-1-carbonitrile, 1'-nitro-
CAS Number:
85690-35-3
Molecular Formula:
C13H20N2O2
Molecular Weight:
236.3101
IUPAC Name:
1-(1-nitrocyclohexyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C13H20N2O2/c14-11-12(7-3-1-4-8-12)13(15(16)17)9-5-2-6-10-13/h1-10H2
InChI Key:
UVIGVVNFFFJETH-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCC1)C1(CCCCC1)[N+](=O)[O-]
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.315g/mol
Monoisotopic Mass:
236.152g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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