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Home > Nitro Compounds > 1636-37-9
1636-37-9 | 1,1'-Bicyclohexyl, 1,1'-dinitro-
CAS No: 1636-37-9 Catalog No: AG001U9C MDL No:
Product Description
Catalog Number:
AG001U9C
Chemical Name:
1,1'-Bicyclohexyl, 1,1'-dinitro-
CAS Number:
1636-37-9
Molecular Formula:
C12H20N2O4
Molecular Weight:
256.2982
IUPAC Name:
1-nitro-1-(1-nitrocyclohexyl)cyclohexane
InChI:
InChI=1S/C12H20N2O4/c15-13(16)11(7-3-1-4-8-11)12(14(17)18)9-5-2-6-10-12/h1-10H2
InChI Key:
IBOFWLDVCVUDBY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C1(CCCCC1)C1(CCCCC1)[N+](=O)[O-]
Properties
Complexity:
299
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.142g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.302g/mol
Monoisotopic Mass:
256.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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