3-Chloro-2,6-difluorobenzonitrile

C7H2ClF2NCAS 86225-73-2173.55 g/mol

Open in Covalent MOL file
FNFCl
Aryl halideNitrile

Properties

Molecular formula
C7H2ClF2N
Molar mass
173.55 g/mol
Exact mass
172.9844 Da
logP
2.49Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P405, P501

Identifiers

CAS number
86225-73-2
SMILES
C1=CC(=C(C(=C1F)C#N)F)Cl
InChIKey
QYALCKFGISNFMJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H2ClF2N/c8-5-1-2-6(9)4(3-11)7(5)10/h1-2H

Weigh it out

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

Work with 3-Chloro-2,6-difluorobenzonitrile

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

2,3,6-Trifluorobenzonitrile136514-17-568 % similar 2-Chloro-6-fluorobenzonitrile668-45-161 % similar 2,6-Difluorobenzonitrile1897-52-555 % similar 2,3,4-Trifluorochlorobenzene36556-42-055 % similar 2,4-Dichloro-3-fluorobenzonitrile161612-68-653 % similar 3-Chloro-2,6-difluorophenylacetonitrile261762-55-453 % similar 2,4-Difluoro-3-cyanophenylboronic acid871940-31-753 % similar 1,3-Dichloro-2,4-difluorobenzene36556-37-352 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4,5-difluorobenzonitrile135748-34-4 4-Chloro-2,5-difluorobenzonitrile135748-35-5 5-Chloro-2,4-difluorobenzonitrile146780-26-9 3-Chloro-2,4-difluorobenzonitrile887267-38-1

Elsewhere

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