Benzonitrile, 3-amino-5-methoxy-


Chemical Name: Benzonitrile, 3-amino-5-methoxy-
CAS Number: 269411-71-4
Product Number: AG00384Q(AGN-PC-0NABOF)
Synonyms:
MDL No:
Molecular Formula: C8H8N2O
Molecular Weight: 148.1619

Identification/Properties


Computed Properties
Molecular Weight:
148.165g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
148.064g/mol
Monoisotopic Mass:
148.064g/mol
Topological Polar Surface Area:
59A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
172
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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