chempirical

10,11-Dihydro-5H-dibenz[B,F]azepine-5-carbonyl chloride

C15H12ClNOCAS 33948-19-5257.72 g/mol

Open in Covalent MOL file
OClN
Acyl halide

Properties

Molecular formula
C15H12ClNO
Molar mass
257.72 g/mol
Exact mass
257.0607 Da
logP
4.28Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
33948-19-5
SMILES
O=C(Cl)N1c2ccccc2CCc2ccccc21
InChIKey
COHHZMJBMIHLGF-UHFFFAOYSA-N
InChI
InChI=1S/C15H12ClNO/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-8H,9-10H2

Weigh it out

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

Names and synonyms

5 names
  • 5H-Dibenz[b,f]azepine-5-carbonyl chloride, 10,11-dihydro-
  • 5-(Chlorocarbonyl)-10,11-dihydrodibenzazepine
  • 5-Chlorocarbonyl-10,11-dihydro-5H-dibenz[b,f]azepine
  • 10,11-Dihydro-dibenzo[b,f]azepine-5-carbonyl chloride
  • 10,11-Dihydro-dibenz[b,f]azepine-5-carbonyl chloride

Work with 10,11-Dihydro-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 5H-Dibenz[B,F]azepine-5-carbonyl chloride33948-22-058 % similar N,N-Diphenylcarbamic chloride83-01-253 % similar 10,11-Dihydrocarbamazepine3564-73-650 % similar 1-(3-Chloro-10,11-dihydro-5H-dibenz[B,F]azepin-5-yl)ethanone25961-11-948 % similar 1,3-Dihydro-1-phenyl-2H-indol-2-one3335-98-647 % similar 1-(3-Amino-10,11-dihydro-5H-dibenz[B,F]azepin-5-yl)ethanone84803-67-844 % similar 1-(2,6-Dichlorophenyl)indolin-2-one15362-40-043 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook