C1CC(C1)(C#N)C2=CC=C(C=C2)C#N
CAS: 1006390-10-8
Name: 4-(1-cyanocyclobutyl)benzonitrile
SMILES: C1CC(C1)(C#N)C2=CC=C(C=C2)C#N

Molecular Processing

Molecular formula
C12H10N2
Molecular weight
182.23
Exact mass
182.0844
XLogP
2.5
TPSA
47.58
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
52.3

Supplementary Information

InChIKey: QRMTTYZXARWZOY-UHFFFAOYSA-N
Synonyme
4-(1-cyanocyclobutyl)benzonitrileBenzonitrile, 4-(1-cyanocyclobutyl)-1006390-10-8SCHEMBL3072524-(Cyanocyclobutyl)benzonitrileQRMTTYZXARWZOY-UHFFFAOYSA-NEN300-1854603
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