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4-amino-2-(dimethylphosphoryl)benzonitrile

4-amino-2-(dimethylphosphoryl)benzonitrile

Formula: C9H11N2OP

SMILES: CP(C)(=O)C1=C(C=CC(N)=C1)C#N

IUPAC: 4-amino-2-(dimethylphosphoryl)benzonitrile

InChI: InChI=1S/C9H11N2OP/c1-13(2,12)9-5-8(11)4-3-7(9)6-10/h3-5H,11H2,1-2H3

Composition: C (55.67%), H (5.71%), N (14.43%), O (8.24%), P (15.95%)

Molar Mass: 194.174

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 194.06089998
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey IUFVENLUSIPLDR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 54.1
Topological Polar Surface Area 66.88
Polarizability 20.24
Ring Count 1
Rotatable Bond Count 1

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