Basic information
- CAS
31328-16-2- Standard SMILES
COP(=O)(O)Oc1ccc(C#N)cc1- InChIKey
BQHATANCQFIKKJ-UHFFFAOYSA-N- Molecular formula
- C8H8NO4P
- Average molar mass
- 213.13 g/mol
- Monoisotopic mass
- 213.01909473
Names & identifiers
- Preferred name
- Phosphoric acid, mono(4-cyanophenyl) monomethyl ester
- IUPAC
- (4-cyanophenyl) methyl hydrogen phosphate
Names & synonyms
31328-16-2Phosphoric acid, mono(4-cyanophenyl) monomethyl esterDTXSID701852574-Cyanophenyl methyl hydrogen phosphate
Database identifiers
- CAS
31328-16-2- PubChem CID
- 35771
- DTXSID
DTXSID70185257- Nikkaji
- J691.400D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 79.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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