5-Bromo-2-benzoxazolinone

C7H4BrNO2CAS 14733-73-4214.02 g/mol

Open in Covalent MOL file
HONBrO
Aryl halidePhenol

Properties

Molecular formula
C7H4BrNO2
Molar mass
214.02 g/mol
Exact mass
212.9425 Da
Melting point
214–216 °C
logP
2.30Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, P501

Identifiers

CAS number
14733-73-4
SMILES
Oc1nc2cc(Br)ccc2o1
InChIKey
DMHTZWJRUUOALC-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrNO2/c8-4-1-2-6-5(3-4)9-7(10)11-6/h1-3H,(H,9,10)

Weigh it out

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

Names and synonyms

7 names
  • 2(3H)-Benzoxazolone, 5-bromo-
  • 2-Benzoxazolinone, 5-bromo-
  • 2-Benzoxazolol, 5-bromo-
  • 5-Bromo-2(3H)-benzoxazolone
  • 5-Bromo-2-benzoxazolone
  • 5-Bromo-3H-benzoxazol-2-one
  • 5-Bromobenzo[d]oxazol-2(3H)-one

Work with 5-Bromo-2-benzoxazolinone

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

Chlorzoxazone95-25-059 % similar 2(3H)-Benzoxazolone59-49-453 % similar 6-Chloro-2,3-dihydrobenzoxazol-2-one19932-84-446 % similar 5-Bromo-benzooxazole132244-31-646 % similar 5-Bromo-2,1,3-benzoxadiazole51376-06-845 % similar 2,8-Dibromodibenzofuran10016-52-144 % similar Coixol532-91-243 % similar 6-Nitro-2-benzoxazolone4694-91-140 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

6-Bromo-2(3H)-benzoxazolone19932-85-5

Elsewhere

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