Home Nitriles Benzonitrile, 2-amino-4-methoxy-5-(phenylmethoxy)-

Benzonitrile, 2-amino-4-methoxy-5-(phenylmethoxy)-

CAS No.:
192869-57-1
Catalog Number:
AG002GFF
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
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Product Description
Catalog Number:
AG002GFF
Chemical Name:
Benzonitrile, 2-amino-4-methoxy-5-(phenylmethoxy)-
CAS Number:
192869-57-1
Molecular Formula:
C15H14N2O2
Molecular Weight:
254.2839
MDL Number:
MFCD16619280
IUPAC Name:
2-amino-4-methoxy-5-phenylmethoxybenzonitrile
InChI:
InChI=1S/C15H14N2O2/c1-18-14-8-13(17)12(9-16)7-15(14)19-10-11-5-3-2-4-6-11/h2-8H,10,17H2,1H3
InChI Key:
QQMNPRIKROPMKZ-UHFFFAOYSA-N
SMILES:
COc1cc(N)c(cc1OCc1ccccc1)C#N
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.106g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
254.289g/mol
Monoisotopic Mass:
254.106g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
68.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties