Home Nitriles 1-(4-Nitro-phenyl)-cyclopentanecarbonitrile

1-(4-Nitro-phenyl)-cyclopentanecarbonitrile

CAS No.:
91392-33-5
Catalog Number:
AG006BHC
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
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Product Description
Catalog Number:
AG006BHC
Chemical Name:
1-(4-Nitro-phenyl)-cyclopentanecarbonitrile
CAS Number:
91392-33-5
Molecular Formula:
C12H12N2O2
Molecular Weight:
216.2359
MDL Number:
MFCD01012887
IUPAC Name:
1-(4-nitrophenyl)cyclopentane-1-carbonitrile
InChI:
InChI=1S/C12H12N2O2/c13-9-12(7-1-2-8-12)10-3-5-11(6-4-10)14(15)16/h3-6H,1-2,7-8H2
InChI Key:
ANLABNUUYWRCRP-UHFFFAOYSA-N
SMILES:
N#CC1(CCCC1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.09g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.24g/mol
Monoisotopic Mass:
216.09g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties