Home Nitriles Benzonitrile, 2-(2-methylpropyl)-5-nitro-

Benzonitrile, 2-(2-methylpropyl)-5-nitro-

CAS No.:
288251-96-7
Catalog Number:
AG002WNT
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
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Product Description
Catalog Number:
AG002WNT
Chemical Name:
Benzonitrile, 2-(2-methylpropyl)-5-nitro-
CAS Number:
288251-96-7
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD27948833
IUPAC Name:
2-(2-methylpropyl)-5-nitrobenzonitrile
InChI:
InChI=1S/C11H12N2O2/c1-8(2)5-9-3-4-11(13(14)15)6-10(9)7-12/h3-4,6,8H,5H2,1-2H3
InChI Key:
SYTVZDZXEXCQFF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1CC(C)C)[N+](=O)[O-]
Properties
Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties