200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 87740-94-1
87740-94-1 | Cyclohexanecarbonitrile, 1-(1-nitrocyclopentyl)-
CAS No: 87740-94-1 Catalog No: AG004FMB MDL No:
Product Description
Catalog Number:
AG004FMB
Chemical Name:
Cyclohexanecarbonitrile, 1-(1-nitrocyclopentyl)-
CAS Number:
87740-94-1
Molecular Formula:
C12H18N2O2
Molecular Weight:
222.2835
IUPAC Name:
1-(1-nitrocyclopentyl)cyclohexane-1-carbonitrile
InChI:
InChI=1S/C12H18N2O2/c13-10-11(6-2-1-3-7-11)12(14(15)16)8-4-5-9-12/h1-9H2
InChI Key:
MGESYZZHIFKKOB-UHFFFAOYSA-N
SMILES:
N#CC1(CCCCC1)C1(CCCC1)[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
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.