2H-1,4-Benzoxazin-3(4H)-one
Properties
- Molecular formula
- C8H7NO2
- Molar mass
- 149.15 g/mol
- Exact mass
- 149.0477 Da
- Melting point
- 172–173 °C
- logP
- 1.67Crippen estimate
- Polar surface area
- 41.8 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation97.8% of notifiers
Aggregated from 46 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
5466-88-6SMILES
OC1=Nc2ccccc2OC1InChIKey
QRCGFTXRXYMJOS-UHFFFAOYSA-NInChI
InChI=1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
10 names
- 2H-1,4-Benzoxazin-3-one
- 2,3-Dihydro-3-oxo-4H-1,4-benzoxazine
- 4H-Benzo[1,4]oxazin-3-one
- 3-Oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine
- NSC 26354
- 2H-Benzo[b][1,4]oxazin-3(4H)-one
- 3,4-Dihydro-1H-benzo[b][1,4]oxazine-3-one
- 4H-1,4-Benzoxazin-3-one
- 3,4-Dihydro-2H-1,4-benzoxazin-3-one
- 2H-1,4-Benzoxazin-3-ol
Work with 2H-1,4-Benzoxazin-3(4H)-one
Similar compounds
2H-Pyrido(3,2-b)-1,4-oxazin-3(4H)-one20348-09-854 % similar
Oxindole59-48-353 % similar
2-Chloro-N-(2-methoxyphenyl)acetamide55860-22-551 % similar
Acetoacet-o-anisidide92-15-946 % similar
1,2-Phenylenedioxydiacetic acid5411-14-345 % similar
4H-1,4-Benzothiazin-3-one5325-20-243 % similar
N-(2-Methoxyphenyl)acetamide93-26-541 % similar
O-Bromophenoxyacetic acid1879-56-739 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.