5-Chlorobenzoxazole
Properties
- Molecular formula
- C7H4ClNO
- Molar mass
- 153.56 g/mol
- Exact mass
- 152.9981 Da
- Melting point
- 40–41 °C
- Boiling point
- 201–203 °C
- logP
- 2.48Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
17200-29-2SMILES
Clc1ccc2ocnc2c1InChIKey
VWMQXAYLHOSRKA-UHFFFAOYSA-NInChI
InChI=1S/C7H4ClNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4HWeigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Benzoxazole, 5-chloro-
- NSC 24984
- 5-Chlorobenzo[d]oxazole
Work with 5-Chlorobenzoxazole
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
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
5-Methylbenzoxazole10531-78-955 % similar
5-Bromo-benzooxazole132244-31-655 % similar
2,5-Dichlorobenzooxazole3621-81-648 % similar
Benzoxazole273-53-048 % similar
6-Chloroquinoxaline5448-43-147 % similar
5-Chloro-2-methylbenzoxazole19219-99-946 % similar
5-Chloro-2-mercaptobenzoxazole22876-19-346 % similar
Chlorzoxazone95-25-046 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds