C1=CC(=CC(=C1)C#N)C#N
CAS: 626-17-5
Name: benzene-1,3-dicarbonitrile
SMILES: C1=CC(=CC(=C1)C#N)C#N

Molecular Processing

Molecular formula
C8H4N2
Molecular weight
128.13
Exact mass
128.0374
XLogP
1.43
TPSA
47.58
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0
Molar refractivity
35.87

Supplementary Information

InChIKey: LAQPNDIUHRHNCV-UHFFFAOYSA-N
Synonyme
Isophthalonitrile1,3-DICYANOBENZENE626-17-51,3-BenzenedicarbonitrileIsophthalodinitrilem-Dicyanobenzene3-Cyanobenzonitrilem-Phthalodinitrilem-Benzenedinitrile1,3-BenzodinitrileIsoftalodinitrilIsoftalonitrilNitril kyseliny isoftaloveDinitrile of isophthalic acid1,3-Benzendikarbonitrilm-PDNNSC 87880DTXSID7027259META-DICYANOBENZENENSC-878807G36N0292WDTXCID2072591,3-BIS(CYANO)BENZENECHEBI:38218RefChem:414327210-933-7benzene-1,3-dicarbonitrileIsophtalonitrileMFCD00001795Isoftalonitril [Czech]
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