N,N-Bis(2-chloro-6-fluorobenzyl)hydroxylamine

C₁₄H₁₁Cl₂F₂NOCAS 175136-75-1318.14 g/mol

Open in Covalent MOL file

Aryl halide Tertiary amine

Properties

Molecular formula: C₁₄H₁₁Cl₂F₂NO
Molar mass: 318.14 g/mol
Exact mass: 317.0186 Da
logP: 4.66Crippen estimate
Polar surface area: 23.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 4

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175136-75-1

SMILES

C1=CC(=C(C(=C1)Cl)CN(CC2=C(C=CC=C2Cl)F)O)F

InChIKey

MIUDTZXWNHEWKG-UHFFFAOYSA-N

InChI

InChI=1S/C14H11Cl2F2NO/c15-11-3-1-5-13(17)9(11)7-19(20)8-10-12(16)4-2-6-14(10)18/h1-6,20H,7-8H2

Weigh it out

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

Work with N,N-Bis(2-chloro-6-fluorobenzyl)hydroxylamine

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-Chloro-6-fluorobenzenemethanol56456-50-959 % similar 1-((2-Chloro-6-fluorophenyl)methyl)piperazine215655-20-257 % similar 2-Chloro-6-fluorobenzyl chloride55117-15-256 % similar 2-(2-Chloro-6-fluorophenyl)ethanol214262-86-956 % similar 2-Chloro-6-fluorobenzenemethanamine15205-15-955 % similar 2-Chloro-6-fluorobenzylthiol170924-52-455 % similar 2-Chloro-6-fluorobenzyl bromide68220-26-855 % similar 2-Chloro-6-fluorobenzeneacetic acid37777-76-750 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook