Basic information
- CAS
193882-91-6- Standard SMILES
CC(=O)OI1NC(=O)c2ccccc21- InChIKey
YSJTUDMXQVOXKV-UHFFFAOYSA-N- Molecular formula
- C9H8INO3
- Average molar mass
- 305.07 g/mol
- Monoisotopic mass
- 304.95489
Names & identifiers
- Preferred name
- (3-oxo-2H-1$l^{3},2-benziodazol-1-yl) acetate
- IUPAC
- (3-oxo-2H-1λ3,2-benziodazol-1-yl) acetate
Names & synonyms
NSC692393(3-oxo-2H-1$l^{3},2-benziodazol-1-yl) acetate193882-91-6CHEMBL1990151DTXSID90327834NSC-692393NCI60_0331513-Oxo-2,3-dihydro-1H-1lambda~3~,2-benziodazol-1-yl acetateAcetic acid 3-oxo-2,3-dihydro-1-lambda-~3~-benzo[d][1,2]iodazol-1-yl ester
Database identifiers
- CAS
193882-91-6- PubChem CID
- 392252
- DTXSID
DTXSID90327834- ChEMBL
CHEMBL1990151- Nikkaji
- J879.249F
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 269
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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