200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 79966-73-7
79966-73-7 | Benzeneacetonitrile,2-nitro-6-(phenylmethoxy)-
CAS No: 79966-73-7 Catalog No: AG005EUE MDL No:
Product Description
Catalog Number:
AG005EUE
Chemical Name:
Benzeneacetonitrile,2-nitro-6-(phenylmethoxy)-
CAS Number:
79966-73-7
Molecular Formula:
C15H12N2O3
Molecular Weight:
268.2674
IUPAC Name:
2-(nitromethyl)-6-phenylmethoxybenzonitrile
InChI:
InChI=1S/C15H12N2O3/c16-9-14-13(10-17(18)19)7-4-8-15(14)20-11-12-5-2-1-3-6-12/h1-8H,10-11H2
InChI Key:
RVDAKDFRXOPWBH-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1C[N+](=O)[O-])OCc1ccccc1
Properties
Complexity:
365
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.085g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.272g/mol
Monoisotopic Mass:
268.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.