Basic information
- CAS
111318-39-9- Standard SMILES
COC(=O)Oc1c(I)cc(C#N)cc1[N+](=O)[O-]- InChIKey
HXCVBUFVEPMDLN-UHFFFAOYSA-N- Molecular formula
- C9H5IN2O5
- Average molar mass
- 348.05 g/mol
- Monoisotopic mass
- 347.92432
Names & identifiers
- Preferred name
- (4-Cyano-2-iodo-6-nitrophenyl) methyl carbonate
- IUPAC
- (4-cyano-2-iodo-6-nitrophenyl) methyl carbonate
Names & synonyms
(4-cyano-2-iodo-6-nitrophenyl) methyl carbonate111318-39-94-CYANO-2-IODO-6-NITROPHENYL METHYL CARBONATEDTXSID70149596
Database identifiers
- CAS
111318-39-9- PubChem CID
- 183252
- DTXSID
DTXSID70149596- Nikkaji
- J468.810D
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 360
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…