CC1=C(C=CC(=C1Cl)C#N)F
CAS: 796600-15-2
Nombre: 2-chloro-4-fluoro-3-methylbenzonitrile
SMILES: CC1=C(C=CC(=C1Cl)C#N)F

Molecular Processing

Molecular formula
C8H5ClFN
Molecular weight
169.59
Exact mass
169.0095
XLogP
2.66
TPSA
23.79
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
40.86

Supplementary Information

InChIKey: IOKBJSAKTZEMBR-UHFFFAOYSA-N
Sinónimos
2-chloro-4-fluoro-3-methylbenzonitrile796600-15-2DTXSID00659310RefChem:1062779DTXCID70610059MFCD131935442-chloro-3-methyl-4-fluorobenzonitrile2-chloro-4-fluoro-3-methyl-BenzonitrileBenzonitrile, 2-chloro-4-fluoro-3-methyl-SCHEMBL220882IOKBJSAKTZEMBR-UHFFFAOYSA-NCL8160AKOS005259165CS-W004249DS-0753SY102453DB-014072F077536
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