3-Chloro-5-fluorobenzonitrile

C7H3ClFNCAS 327056-73-5155.56 g/mol

Open in Covalent MOL file
FClN
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

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
327056-73-5
SMILES
C1=C(C=C(C=C1F)Cl)C#N
InChIKey
GIKLRWNRBOLRDV-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H

Weigh it out

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

Work with 3-Chloro-5-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

3,5-Dicyanofluorobenzene453565-55-468 % similar 3,5-Difluorobenzonitrile64248-63-168 % similar 3,5-Dichlorobenzonitrile6575-00-468 % similar 3-Amino-5-fluorobenzonitrile210992-28-260 % similar 3,5-Difluorochlorobenzene1435-43-456 % similar 1,3-Dichloro-5-fluorobenzene1435-46-756 % similar 3-Fluorobenzonitrile403-54-355 % similar 3-Bromo-5-fluorobenzonitrile179898-34-155 % 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

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