chempirical

3-Chloro-4-fluorobenzylamine

C7H7ClFNCAS 72235-56-4159.59 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

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
72235-56-4
SMILES
C1=CC(=C(C=C1CN)Cl)F
InChIKey
LQAUXDMGRBWDIU-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClFN/c8-6-3-5(4-10)1-2-7(6)9/h1-3H,4,10H2

Weigh it out

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Work with 3-Chloro-4-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

Similar compounds

3,4-Dichlorobenzenemethanamine102-49-864 % similar 3,4-Difluorobenzylamine72235-53-164 % similar 3-Chloro-4-fluorobenzyl alcohol161446-90-861 % similar 3-Chloro-4-fluorobenzyl bromide192702-01-561 % similar (4-Fluoro-3-methylphenyl)methanamine261951-68-256 % similar 3-Chloro-4-methylbenzylamine67952-93-656 % similar 3-Chloro-4-(trifluoromethyl)benzyl amine361393-93-356 % similar [4-Fluoro-3-(trifluoromethyl)phenyl]methanamine67515-74-653 % 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 4-Chloro-2-fluorobenzylamine72235-57-5 (4-Chloro-3-fluorophenyl)methanamine72235-58-6

Elsewhere

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