chempirical

5-Chloroisatoic anhydride

C8H4ClNO3CAS 4743-17-3197.57 g/mol

Open in Covalent MOL file
OOOHNCl
Aryl halidePhenol

Properties

Molecular formula
C8H4ClNO3
Molar mass
197.57 g/mol
Exact mass
196.9880 Da
Melting point
278–281 °C
logP
1.55Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
0

Identifiers

CAS number
4743-17-3
SMILES
O=c1oc(O)nc2ccc(Cl)cc12
InChIKey
MYQFJMYJVJRSGP-UHFFFAOYSA-N
InChI
InChI=1S/C8H4ClNO3/c9-4-1-2-6-5(3-4)7(11)13-8(12)10-6/h1-3H,(H,10,12)

Weigh it out

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

Names and synonyms

8 names
  • 2H-3,1-Benzoxazine-2,4(1H)-dione, 6-chloro-
  • Isatoic anhydride, 5-chloro-
  • 6-Chloro-2H-3,1-benzoxazine-2,4(1H)-dione
  • 6-Chloro-1,2-dihydro-4H-3,1-benzoxazine-2,4-dione
  • 6-Chloro-1H-benzo[d][1,3]oxazine-2,4-dione
  • NSC 139890
  • NSC 75847
  • 6-Chloro-2H-3,1-dihydrobenzoxazine-2,4-dione

Work with 5-Chloroisatoic anhydride

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

6-Chloro-2,3-dihydrobenzoxazol-2-one19932-84-459 % similar 5-Nitroisatoic anhydride4693-02-157 % similar Chlorzoxazone95-25-055 % similar 2,4,6-Trichloroquinazoline20028-68-643 % similar 2,6-Dichlorobenzoxazole3621-82-739 % similar 6-Chloro-2-(4-chlorophenyl)-4-quinoline carboxylic acid126088-20-838 % similar 6-Bromo-2(3H)-benzoxazolone19932-85-537 % similar 6-Chloro-2-mercaptobenzoxazole22876-20-637 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook