Methyl 2-selenocyanatobenzoate
Basic information
- CAS
78377-05-6- Standard SMILES
COC(=O)c1ccccc1[Se]C#N- InChIKey
XMFSUMXLLZBTGO-UHFFFAOYSA-N- Molecular formula
- C9H7NO2Se
- Average molar mass
- 240.13 g/mol
- Monoisotopic mass
- 240.9642
Names & identifiers
- Preferred name
- Methyl 2-selenocyanatobenzoate
- IUPAC
- methyl 2-selenocyanatobenzoate
Names & synonyms
Methyl 2-selenocyanatobenzoate78377-05-6Benzoic acid, 2-selenocyanato-, methyl esterMethyl 2-(selenocyanato)benzoateDTXSID50412270
Database identifiers
- CAS
78377-05-6- PubChem CID
- 5237249
- DTXSID
DTXSID50412270
Properties
Computed structural properties
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 233
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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