C1=CC(=CC=C1C#N)I
CAS: 3058-39-7
Name: 4-iodobenzonitrile
SMILES: C1=CC(=CC=C1C#N)I

Molecular Processing

Molecular formula
C7H4IN
Molecular weight
229.02
Exact mass
228.9388
XLogP
2.16
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
9
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
43.87

Supplementary Information

InChIKey: XOKDXPVXJWTSRM-UHFFFAOYSA-N
Synonyme
4-Iodobenzonitrile3058-39-7Benzonitrile, 4-iodo-NSC 87894DTXSID3062819RefChem:99458DTXCID4038217608-503-2XOKDXPVXJWTSRM-UHFFFAOYSA-Np-Iodobenzonitrile1-Cyano-4-iodobenzeneBenzonitrile, p-iodo-p-CyanoiodobenzeneMFCD000513104-iodo-benzonitrile4-iodobenzenecarbonitrilep-Jodbenzonitril4-CYANOIODOBENZENEp-iodo-benzonitrile4-Iodobenzonitrile, 97%SCHEMBL82069SCHEMBL16961417SCHEMBL25220025NSC87894CL8216NSC-87894SBB017618STK078338AKOS005146080CS-W009114
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