Home Nitriles Benzonitrile, 3-amino-4-ethoxy-

Benzonitrile, 3-amino-4-ethoxy-

CAS No.:
72635-79-1
Catalog Number:
AG00FJSZ
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
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Product Description
Catalog Number:
AG00FJSZ
Chemical Name:
Benzonitrile, 3-amino-4-ethoxy-
CAS Number:
72635-79-1
Molecular Formula:
C9H10N2O
Molecular Weight:
162.1885
MDL Number:
MFCD12189625
IUPAC Name:
3-amino-4-ethoxybenzonitrile
InChI:
InChI=1S/C9H10N2O/c1-2-12-9-4-3-7(6-10)5-8(9)11/h3-5H,2,11H2,1H3
InChI Key:
DVPQVOPYTZSSMA-UHFFFAOYSA-N
SMILES:
CCOc1ccc(cc1N)C#N
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.079g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
162.192g/mol
Monoisotopic Mass:
162.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties