chempirical

3-Chloro-2-fluorobenzonitrile

C7H3ClFNCAS 94087-40-8155.56 g/mol

Open in Covalent MOL file
NClF
Aryl halideNitrile

Properties

Molecular formula
C7H3ClFN
Molar mass
155.56 g/mol
Exact mass
154.9938 Da
logP
2.35Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
94087-40-8
SMILES
N#Cc1cccc(Cl)c1F
InChIKey
CHKLNKWJIDQKFV-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClFN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names
  • Benzonitrile, 3-chloro-2-fluoro-
  • 2-Fluoro-3-chlorobenzonitrile

Work with 3-Chloro-2-fluorobenzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-Chlorobenzonitrile873-32-565 % similar 2,3-Difluorobenzonitrile21524-39-062 % similar 2,3-Dichlorobenzonitrile6574-97-659 % similar 1,3-Dichloro-2-fluorobenzene2268-05-556 % similar 2-Amino-3-chlorobenzonitrile53312-77-955 % similar 2-Chloro-4,5-difluorobenzonitrile135748-34-452 % similar 2,6-Dichlorobenzonitrile1194-65-650 % similar 2,4-Dichloro-5-fluorobenzonitrile128593-93-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

4-Chloro-3-fluorobenzonitrile110888-15-8 3-Chloro-4-fluorobenzonitrile117482-84-5 5-Chloro-2-fluorobenzonitrile57381-34-7 4-Chloro-2-fluorobenzonitrile57381-51-8 2-Chloro-5-fluorobenzonitrile57381-56-3 2-Chloro-4-fluorobenzonitrile60702-69-4 2-Chloro-6-fluorobenzonitrile668-45-1 2-Chloro-3-fluorobenzonitrile874781-08-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook