1,2-Benzisoxazol-3(2H)-one

C7H5NO2CAS 21725-69-9135.12 g/mol

Open in Covalent MOL file
HONO
Phenol

Properties

Molecular formula
C7H5NO2
Molar mass
135.12 g/mol
Exact mass
135.0320 Da
Melting point
145–146 °C
logP
1.53Crippen estimate
Polar surface area
46.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
21725-69-9
SMILES
Oc1noc2ccccc12
InChIKey
QLDQYRDCPNBPII-UHFFFAOYSA-N
InChI
InChI=1S/C7H5NO2/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)

Weigh it out

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

Names and synonyms

11 names
  • 1,2-Benzisoxazol-3-ol
  • 1,2-Benzisoxazolin-3-one
  • 3-Hydroxybenzisoxazole
  • Benzo[d]isoxazol-3-one
  • 3-Hydroxy-1,2-benzisoxazole
  • Benzo[d]isoxazol-3-ol
  • NSC 683715
  • 1,2-Benzisoxazoline-3-one
  • 1,2-Benzoxazol-3-one
  • 2,3-Dihydro-1,2-benzoxazol-3-one
  • 1,2-Benzoxazol-3-ol

Work with 1,2-Benzisoxazol-3(2H)-one

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

3-Chloro-1,2-benzoxazole16263-52-852 % similar 3-Amino-1,2-benzisoxazole36216-80-552 % similar 2H-1,3-Benzoxazine-2,4(3H)-dione2037-95-848 % similar 3-Bromomethylbenzisoxazole37924-85-948 % similar 2,3-Dihydro-1,4-phthalazinedione1445-69-846 % similar 1,2-Benzisoxazole-3-acetic acid4865-84-343 % similar Quinazolinone491-36-142 % similar Indazolinone7364-25-242 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3,4-Dihydroxybenzonitrile17345-61-8 3,5-Dihydroxybenzonitrile19179-36-3 4,5-Dihydro-4-oxofuro[3,2-C]pyridine26956-43-4 2-Furoylacetonitrile31909-58-7 2,6-Diformylpyridine5431-44-7 2(3H)-Benzoxazolone59-49-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook