Home Nitriles Benzonitrile, 4-Methoxy-2-nitro-5-(phenylMethoxy)-

Benzonitrile, 4-Methoxy-2-nitro-5-(phenylMethoxy)-

CAS No.:
192869-56-0
Catalog Number:
AG002GFG
Molecular Formula:
C15H12N2O4
Molecular Weight:
284.2668
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Product Description
Catalog Number:
AG002GFG
Chemical Name:
Benzonitrile, 4-Methoxy-2-nitro-5-(phenylMethoxy)-
CAS Number:
192869-56-0
Molecular Formula:
C15H12N2O4
Molecular Weight:
284.2668
MDL Number:
MFCD17168916
IUPAC Name:
4-methoxy-2-nitro-5-phenylmethoxybenzonitrile
InChI:
InChI=1S/C15H12N2O4/c1-20-14-8-13(17(18)19)12(9-16)7-15(14)21-10-11-5-3-2-4-6-11/h2-8H,10H2,1H3
InChI Key:
YVPZEYWNUBKJEA-UHFFFAOYSA-N
SMILES:
COc1cc([N+](=O)[O-])c(cc1OCc1ccccc1)C#N
Properties
Complexity:
394  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.08g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.271g/mol
Monoisotopic Mass:
284.08g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
88.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties