chempirical

3-Chloro-5-fluorobenzylamine

C7H7ClFNCAS 90390-33-3159.59 g/mol

Open in Covalent MOL file
FClNH2
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
90390-33-3
SMILES
C1=C(C=C(C=C1F)Cl)CN
InChIKey
XJCYOVBALKWQQC-UHFFFAOYSA-N
InChI
InChI=1S/C7H7ClFN/c8-6-1-5(4-10)2-7(9)3-6/h1-3H,4,10H2

Weigh it out

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Work with 3-Chloro-5-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

3,5-Dichlorobenzylamine39989-43-068 % similar 3,5-Difluorobenzylamine90390-27-568 % similar 1-(Bromomethyl)-3-chloro-5-fluorobenzene493024-39-860 % similar 3,5-Difluorochlorobenzene1435-43-456 % similar 1,3-Dichloro-5-fluorobenzene1435-46-756 % similar 3-Fluorobenzylamine100-82-355 % similar 3-Chloro-5-fluorophenylacetonitrile493038-93-055 % similar 3-Fluoro-5-(trifluoromethyl)benzenemethanamine150517-77-452 % 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 1-(2-Chloro-5-fluorophenyl)methanamine202522-23-4 5-Chloro-2-fluorobenzylamine261723-26-6 3-Chloro-2-fluorobenzenemethanamine72235-55-3 3-Chloro-4-fluorobenzylamine72235-56-4 4-Chloro-2-fluorobenzylamine72235-57-5

Elsewhere

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