[Cyano-(4-nitrophenyl)methyl] methyl carbonate
Basic information
- CAS
66867-30-9- Standard SMILES
COC(=O)OC(C#N)c1ccc([N+](=O)[O-])cc1- InChIKey
BJJOMBSVFAMVSA-UHFFFAOYSA-N- Molecular formula
- C10H8N2O5
- Average molar mass
- 236.18 g/mol
- Monoisotopic mass
- 236.04332136
Names & identifiers
- Preferred name
- [Cyano-(4-nitrophenyl)methyl] methyl carbonate
- IUPAC
- [cyano-(4-nitrophenyl)methyl] methyl carbonate
Names & synonyms
66867-30-9[cyano-(4-nitrophenyl)methyl] methyl carbonateNSC288682DTXSID30314804NSC-288682Cyano(4-nitrophenyl)methyl methyl carbonate
Database identifiers
- CAS
66867-30-9- PubChem CID
- 324209
- DTXSID
DTXSID30314804
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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