chempirical

2,6-Dichlorobenzoxazole

C7H3Cl2NOCAS 3621-82-7188.01 g/mol

Open in Covalent MOL file
ClNClO
Aryl halide

Properties

Molecular formula
C7H3Cl2NO
Molar mass
188.01 g/mol
Exact mass
186.9592 Da
Melting point
56–57 °C
logP
3.13Crippen estimate
Polar surface area
26.0 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
3621-82-7
SMILES
Clc1ccc2nc(Cl)oc2c1
InChIKey
LVVQTPZQNHQLOM-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2NO/c8-4-1-2-5-6(3-4)11-7(9)10-5/h1-3H

Weigh it out

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

Names and synonyms

4 names
  • Benzoxazole, 2,6-dichloro-
  • 2,6-Dichlorobenzo[d]oxazole
  • 2,6-Dichloro-1,3-benzooxazole
  • 2,6-Dichloro-1,3-benzoxazole

Work with 2,6-Dichlorobenzoxazole

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

6-Chloro-2,3-dihydrobenzoxazol-2-one19932-84-463 % similar 6-Chloro-2-mercaptobenzoxazole22876-20-663 % similar 2-Chlorobenzoxazole615-18-957 % similar 5-Chloro-2-methylbenzoxazole19219-99-944 % similar 5-Chloro-2-mercaptobenzoxazole22876-19-344 % similar Chlorzoxazone95-25-044 % similar 5-Chlorobenzoxazole17200-29-240 % similar 2,6-Dichloroquinoline1810-72-640 % similar

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

Same formula

3,4-Dichlorophenyl isocyanate102-36-3 Chloroxynil1891-95-8 2,4-Dichlorophenyl isocyanate2612-57-9 3,5-Dichlorophenyl isocyanate34893-92-0 2,6-Dichlorophenyl isocyanate39920-37-1 2,3-Dichlorophenyl isocyanate41195-90-8 2,5-Dichlorophenyl isocyanate5392-82-5

Elsewhere

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