chempirical

Benzotriazol-1-yl-(2,4-dichloro-phenyl)-methanone

C13H7Cl2N3OCAS 200626-61-5292.12 g/mol

Open in Covalent MOL file
NNNOClCl
Aryl halide

Properties

Molecular formula
C13H7Cl2N3O
Molar mass
292.12 g/mol
Exact mass
290.9966 Da
logP
3.43Crippen estimate
Polar surface area
47.8 Ų
H-bond donors / acceptors
0 / 3
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
200626-61-5
SMILES
C1=CC=C2C(=C1)N=NN2C(=O)C3=C(C=C(C=C3)Cl)Cl
InChIKey
UVNLAUGZMOPBPR-UHFFFAOYSA-N
InChI
InChI=1S/C13H7Cl2N3O/c14-8-5-6-9(10(15)7-8)13(19)18-12-4-2-1-3-11(12)16-17-18/h1-7H

Weigh it out

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

Names and synonyms

1 names
  • Itsa-1

Work with Benzotriazol-1-yl-(2,4-dichloro-phenyl)-methanone

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

2,4-Dichlorobenzophenone19811-05-345 % similar 2,4-Dichlorobenzoyl chloride89-75-842 % similar 2,4-Dichlorobenzhydrazide5814-06-242 % similar 2,4-Dichlorobenzoyl peroxide133-14-241 % similar 2′,4′-Dichloroacetophenone2234-16-441 % similar 2,4-Dichlorobenzoic acid50-84-041 % similar 2,2-Dichloro-1-(2,4-dichlorophenyl)ethanone2274-66-040 % similar 2,2′,4′-Trichloroacetophenone4252-78-240 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook