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5-aminobenzene-1,3-dicarbonitrile

5-aminobenzene-1,3-dicarbonitrile

CAS: 57369-97-8

Formula: C8H5N3

SMILES: NC1=CC(=CC(=C1)C#N)C#N

IUPAC: 5-aminobenzene-1,3-dicarbonitrile

InChI: InChI=1S/C8H5N3/c9-4-6-1-7(5-10)3-8(11)2-6/h1-3H,11H2

Composition: C (67.12%), H (3.52%), N (29.35%)

Molar Mass: 143.149

Atom Count: 16

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 143.048347173
Formal Charge 0
FSP3 0
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UBFORUHJOUPFHX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.2
Topological Polar Surface Area 73.6
Polarizability 15.13
Ring Count 1
Rotatable Bond Count 0

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