chempirical

2,4-Dichloro-3-fluorobenzonitrile

C7H2Cl2FNCAS 161612-68-6190.00 g/mol

Open in Covalent MOL file
NClFCl
Aryl halideNitrile

Properties

Molecular formula
C7H2Cl2FN
Molar mass
190.00 g/mol
Exact mass
188.9548 Da
logP
3.00Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
161612-68-6
SMILES
C1=CC(=C(C(=C1C#N)Cl)F)Cl
InChIKey
QWGPQHZYZNHITN-UHFFFAOYSA-N
InChI
InChI=1S/C7H2Cl2FN/c8-5-2-1-4(3-11)6(9)7(5)10/h1-2H

Weigh it out

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

Work with 2,4-Dichloro-3-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

4-Amino-2-chloro-3-fluorobenzonitrile757247-99-764 % similar 3-Chloro-2-fluorobenzonitrile94087-40-861 % similar 2,3-Dichlorobenzonitrile6574-97-655 % similar 1,3-Dichloro-2,4-difluorobenzene36556-37-352 % similar 2-Chloro-3-fluorobenzonitrile874781-08-552 % similar 2-Chloro-5-fluorobenzonitrile57381-56-350 % similar 2-Chloro-4-fluorobenzonitrile60702-69-450 % similar 2-Chlorobenzonitrile873-32-545 % similar

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

Same formula

2,4-Dichloro-5-fluorobenzonitrile128593-93-1

Elsewhere

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