chempirical

3-Chloro-2-fluorobenzenemethanamine

C7H7ClFNCAS 72235-55-3159.59 g/mol

Open in Covalent MOL file
H2NClF
Aryl halidePrimary amine

Properties

Molecular formula
C7H7ClFN
Molar mass
159.59 g/mol
Exact mass
159.0251 Da
logP
1.94Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
72235-55-3
SMILES
NCc1cccc(Cl)c1F
InChIKey
LYKWZKBLNOCJMA-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClFN/c8-6-3-1-2-5(4-10)7(6)9/h1-3H,4,10H2

Weigh it out

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

Names and synonyms

3 names
  • Benzenemethanamine, 3-chloro-2-fluoro-
  • 3-Chloro-2-fluorobenzylamine
  • (3-Chloro-2-fluorophenyl)methanamine

Work with 3-Chloro-2-fluorobenzenemethanamine

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-Chlorobenzylamine89-97-463 % similar 1,3-Dichloro-2-fluorobenzene2268-05-556 % similar 3-Chloro-2-fluorobenzenamine2106-04-950 % similar 3-Chloro-2-fluorobenzeneacetic acid261762-96-350 % similar 2,5-Dichlorobenzylamine10541-69-247 % similar 2,4-Dichlorobenzenemethanamine95-00-147 % similar 2-Fluorobenzylamine89-99-647 % similar 1-Chloro-2-fluoro-3-iodobenzene72373-82-145 % similar

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

Same formula

2-Chloro-4-fluoro-5-methylaniline124185-35-9 2-Chloro-4-fluorobenzylamine15205-11-5 2-Chloro-6-fluorobenzenemethanamine15205-15-9 2-Chloro-5-fluorobenzenemethanamine202522-23-4

Elsewhere

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