C1=CC(=CC(=C1)F)C#N
CAS: 403-54-3
Name: 3-fluorobenzonitrile
SMILES: C1=CC(=CC(=C1)F)C#N

Molecular Processing

Molecular formula
C7H4FN
Molecular weight
121.11
Exact mass
121.0328
XLogP
1.7
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
31.11

Supplementary Information

InChIKey: JZTPKAROPNTQQV-UHFFFAOYSA-N
Synonyme
3-FluorobenzonitrileBenzonitrile, 3-fluoro-EINECS 206-963-5NSC 88310DTXSID00599543-FLUORO-BENZOIC ACID-NITRILERefChem:93950DTXCID7039751206-963-5InChI=1/C7H4FN/c8-7-3-1-2-6(4-7)5-9/h1-4JZTPKAROPNTQQV-UHFFFAOYSA-N403-54-3m-Fluorobenzonitrilem-CyanofluorobenzeneBenzonitrile, m-fluoro-MFCD000017973-fluoro-Benzonitrile92WAP6RV75NSC-883101-CYANO-3-FLUOROBENZENE3-fluorobenzenecarbonitrileNSC883103-flourobenzonitrile5-fluorobenzonitrile3-fluoro benzonitrile3-Fluorobenzonitrile, 98%NCIOpen2_001525UNII-92WAP6RV75SCHEMBL27900SCHEMBL38165
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