4-Amino-2-chloro-3-fluorobenzonitrile

C₇H₄ClFN₂CAS 757247-99-7170.57 g/mol

Open in Covalent MOL file

Aryl halide Nitrile Primary 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 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

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

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

4-Bromo-3-chloro-2-fluoroaniline115843-99-751 % similar 2-Chloro-3-fluorobenzonitrile874781-08-549 % similar 2-Amino-4-chlorobenzonitrile38487-86-447 % similar 2-Amino-5-chlorobenzonitrile5922-60-147 % similar 3-Chloro-2-fluorobenzonitrile94087-40-844 % similar 2,3-Dichlorobenzonitrile6574-97-643 % similar 2-Chloro-3,4-dimethoxybenzonitrile119413-61-543 % similar 2-Aminobenzonitrile1885-29-642 % 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

Elsewhere

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