chempirical

4-Chloro-2-fluorobenzylamine

C7H7ClFNCAS 72235-57-5159.59 g/mol

Open in Covalent MOL file
ClFNH2
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

Hazards

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

Identifiers

CAS number
72235-57-5
SMILES
C1=CC(=C(C=C1Cl)F)CN
InChIKey
ODMMHGMIZYLHNN-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClFN/c8-6-2-1-5(4-10)7(9)3-6/h1-3H,4,10H2

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Names and synonyms

1 names
  • 4-Chloro-2-fluorobenzyl amine

Work with 4-Chloro-2-fluorobenzylamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(4-Chloro-2-fluorobenzyl)amine hydrochloride202982-63-6Salt

Similar compounds

4-Chloro-2-fluorobenzyl chloride87417-71-863 % similar 4-Chloro-2-fluorobenzenemethanol56456-49-661 % similar 4-Chloro-2-fluorobenzyl bromide71916-82-061 % similar 2,4-Difluorobenzylamine72235-52-060 % similar 2,4-Dichlorobenzenemethanamine95-00-160 % similar 4-Bromo-2-fluorobenzenemethanamine112734-22-256 % similar 4-Chloro-2-fluorobenzeneacetonitrile75279-53-756 % similar 4-Chloro-2-(trifluoromethyl)benzylamine771583-81-456 % 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 5-Chloro-2-fluorobenzylamine261723-26-6 3-Chloro-2-fluorobenzenemethanamine72235-55-3 3-Chloro-4-fluorobenzylamine72235-56-4 (4-Chloro-3-fluorophenyl)methanamine72235-58-6

Elsewhere

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