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Home > Nitro Compounds > 87740-95-2
87740-95-2 | Cyclopentanecarbonitrile, 1-(1-nitrocyclohexyl)-
CAS No: 87740-95-2 Catalog No: AG004LN5 MDL No:
Product Description
Catalog Number:
AG004LN5
Chemical Name:
Cyclopentanecarbonitrile, 1-(1-nitrocyclohexyl)-
CAS Number:
87740-95-2
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
1-(1-nitrocyclohexyl)cyclopentane-1-carbonitrile
InChI:
InChI=1S/C12H18N2O2/c13-10-11(6-4-5-7-11)12(14(15)16)8-2-1-3-9-12/h1-9H2
InChI Key:
JBCOJRNEBLIGMG-UHFFFAOYSA-N
SMILES:
N#CC1(CCCC1)C1(CCCCC1)[N+](=O)[O-]
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.137g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.288g/mol
Monoisotopic Mass:
222.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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