4-Amino-2-chloro-3-fluorobenzonitrile

C7H4ClFN2CAS 757247-99-7170.57 g/mol

Open in Covalent MOL file
NNH2FCl
Aryl halideNitrilePrimary amine

Properties

Molecular formula
C7H4ClFN2
Molar mass
170.57 g/mol
Exact mass
170.0047 Da
logP
1.93Crippen estimate
Polar surface area
49.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
757247-99-7
SMILES
N#Cc1ccc(N)c(F)c1Cl
InChIKey
XSTLYVVLZCCQOC-UHFFFAOYSA-N
InChI
InChI=1S/C7H4ClFN2/c8-6-4(3-10)1-2-5(11)7(6)9/h1-2H,11H2

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Names and synonyms

1 names
  • Benzonitrile, 4-amino-2-chloro-3-fluoro-

Work with 4-Amino-2-chloro-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

2,4-Dichloro-3-fluorobenzonitrile161612-68-664 % similar 3-Chloro-2,4-difluorobenzonitrile887267-38-154 % similar 4-Bromo-3-chloro-2-fluoroaniline115843-99-751 % similar 2-Chloro-3-fluorobenzonitrile874781-08-549 % similar 2-Chloro-4-fluoro-3-methylbenzonitrile796600-15-247 % similar 2-Amino-4-chlorobenzonitrile38487-86-447 % similar 2-Amino-5-chlorobenzonitrile5922-60-147 % similar 2-Amino-5-fluorobenzonitrile61272-77-347 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridine1190321-96-0 4-Chloro-3-fluoro-1H-pyrrolo[2,3-B]pyridine1211582-49-8 6-Chloro-5-fluoro-1H-benzimidazole175135-04-3 4-Chloro-5-fluoro-1H-pyrrolo[2,3-b]pyridine882033-66-1

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