4-aminonaphthalene-1-carbonitrile

4-aminonaphthalene-1-carbonitrile

CAS: 58728-64-6

Formula: C11H8N2

SMILES: NC1=CC=C(C#N)C2=CC=CC=C12

IUPAC: 4-aminonaphthalene-1-carbonitrile

InChI: InChI=1S/C11H8N2/c12-7-8-5-6-11(13)10-4-2-1-3-9(8)10/h1-6H,13H2

Composition: C (78.55%), H (4.79%), N (16.66%)

Molar Mass: 168.199

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	168.068748266
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LUSIZUFVMKYWGX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.93
Topological Polar Surface Area	49.81
Polarizability	20.89
Ring Count	2
Rotatable Bond Count	0

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