chempirical

2,5-Dichlorobenzooxazole

C7H3Cl2NOCAS 3621-81-6188.01 g/mol

Open in Covalent MOL file
ClNOCl
Aryl halide

Properties

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

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
3621-81-6
SMILES
C1=CC2=C(C=C1Cl)N=C(O2)Cl
InChIKey
JOXBFDPBVQGJOJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3Cl2NO/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H

Weigh it out

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

Work with 2,5-Dichlorobenzooxazole

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

5-Chloro-2-methylbenzoxazole19219-99-963 % similar 5-Chloro-2-mercaptobenzoxazole22876-19-363 % similar Chlorzoxazone95-25-063 % similar 2-Chlorobenzoxazole615-18-957 % similar 5-Chlorobenzoxazole17200-29-248 % similar 6-Chloro-2,3-dihydrobenzoxazol-2-one19932-84-444 % similar 6-Chloro-2-mercaptobenzoxazole22876-20-644 % similar (R)-5-Chloro-2-(5-methyl-1,4-diazepan-1-yl)benzo[D]oxazole1266975-27-241 % 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-Dichlorobenzoxazole3621-82-7 2,6-Dichlorophenyl isocyanate39920-37-1 2,3-Dichlorophenyl isocyanate41195-90-8 2,5-Dichlorophenyl isocyanate5392-82-5

Elsewhere

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