5H-Dibenz[b,f]azepine-5-carbonyl chloride

C15H10ClNOCAS 33948-22-0255.70 g/mol

Open in Covalent MOL file
OClN
Acyl halideAlkene

Properties

Molecular formula
C15H10ClNO
Molar mass
255.70 g/mol
Exact mass
255.0451 Da
Melting point
148–149 °C
logP
4.67Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, P501

Identifiers

CAS number
33948-22-0
SMILES
O=C(Cl)N1c2ccccc2C=Cc2ccccc21
InChIKey
APJYHXJGXDPGBA-UHFFFAOYSA-N
InChI
InChI=1S/C15H10ClNO/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H

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Names and synonyms

2 names
  • N-(Chlorocarbonyl)-5H-dibenz[b,f]azepine
  • 5-(Chlorocarbonyl)-5H-dibenz[b,f]azepine

Work with 5H-Dibenz[b,f]azepine-5-carbonyl chloride

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

Phenothiazine-10-carbonyl chloride18956-87-158 % similar 10,11-Dihydro-5H-dibenz[b,f]azepine-5-carbonyl chloride33948-19-558 % similar N,N-Diphenylcarbamic chloride83-01-253 % similar Carbamazepine298-46-449 % similar 5H-Dibenz(b,f)azepine-5-carbonitrile42787-75-741 % similar 2-Chlorocinnamoyl chloride35086-82-936 % similar 2-Chlorocinnamic acid3752-25-835 % similar (o-Chlorophenyl)maleimide1203-24-333 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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