Basic information
- CAS
36375-98-1- Standard SMILES
O=c1ccc2ccc3[nH]onc3c2c1- InChIKey
CLKGIRBWRVJIOO-UHFFFAOYSA-N- Molecular formula
- C10H6N2O2
- Average molar mass
- 186.17 g/mol
- Monoisotopic mass
- 186.04292744
Names & identifiers
- Preferred name
- 3H-benzo[e][2,1,3]benzoxadiazol-8-one
- IUPAC
- 3H-benzo[e][2,1,3]benzoxadiazol-8-one
Names & synonyms
NSC33961036375-98-1DTXSID60319084NSC-339610naphtho[1,2-c][1,2,5]oxadiazol-8-olNaphtho[1,2-c][1,2,5]oxadiazol-8(3H)-oneAH-541/12737011
Database identifiers
- CAS
36375-98-1- PubChem CID
- 334433
- DTXSID
DTXSID60319084
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 478
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…