2H-1,3-Benzoxazine-2,4(3H)-dione

C8H5NO3CAS 2037-95-8163.13 g/mol

Open in Covalent MOL file
ONOHO
Phenol

Properties

Molecular formula
C8H5NO3
Molar mass
163.13 g/mol
Exact mass
163.0269 Da
Melting point
229–230 °C
logP
0.89Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
2037-95-8
SMILES
O=c1nc(O)c2ccccc2o1
InChIKey
OAYRYNVEFFWSHK-UHFFFAOYSA-N
InChI
InChI=1S/C8H5NO3/c10-7-5-3-1-2-4-6(5)12-8(11)9-7/h1-4H,(H,9,10,11)

Weigh it out

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

Names and synonyms

14 names · show all
  • Carsalam
  • 4H-1,3-Benzoxazine-2,4(3H)-dione
  • 3,4-Dihydro-1,3-benzoxazine-3,4-dione
  • 3,4-Dihydro-1,3-benzoxazine-2,4-dione
  • 1,3-Benzoxazine-2,4-dione
  • 2,4-Dioxo-3,4-dihydro-2H-1,3-benzoxazine
  • Beaprine
  • Ruhmal
  • Oxophenhydroxazine
  • Carbonylsalicylamide
  • CSA
  • NSC 36166
  • 2H-Benzo[e][1,3]oxazine-2,4(3H)-dione
  • 3,4-Dihydro-2H-1,3-benzoxazine-2,4-dione

Work with 2H-1,3-Benzoxazine-2,4(3H)-dione

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

1,2-Benzisoxazol-3(2H)-one21725-69-948 % similar Xanthone90-47-144 % similar 4-Hydroxycoumarin1076-38-643 % similar 2-(2-Hydroxyphenyl)-4H-1,3-benzoxazin-4-one1218-69-543 % similar Dibenzofuran132-64-941 % similar 6(5H)-Phenanthridinone1015-89-041 % similar Sieber linker3722-51-840 % similar 2(3H)-Benzoxazolone59-49-440 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Isatoic anhydride118-48-9 N-Hydroxyphthalimide524-38-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook