Basic information
- CAS
7597-41-3- Standard SMILES
COC(=O)c1ccc2c(c1)NP(=O)(c1ccccc1)N2- InChIKey
MMEPYFGCZQJJHM-UHFFFAOYSA-N- Molecular formula
- C14H13N2O3P
- Average molar mass
- 288.24 g/mol
- Monoisotopic mass
- 288.06637928
Names & identifiers
- Preferred name
- Methyl 2-oxo-2-phenyl-2,3-dihydro-1H-1,3,2lambda~5~-benzodiazaphosphole-5-carboxylate
- IUPAC
- methyl 2-oxo-2-phenyl-1,3-dihydro-1,3,2λ5-benzodiazaphosphole-5-carboxylate
- English name
- methyl 8-oxo-8-phenyl-7,9-diaza-8$l^{5}-phosphabicyclo[4.3.0]nona-2,4, 10-triene-3-carboxylate
- Molecular formula
- C14H13N2O3P
- Molecular weight
- 288.238381
Names & synonyms
7597-41-3NSC56875NCIOpen2_002485DTXSID10288599NSC-56875Methyl 2-oxo-2-phenyl-2,3-dihydro-1H-1,3,2lambda~5~-benzodiazaphosphole-5-carboxylatemethyl 8-oxo-8-phenyl-7,9-diaza-8$l^{5}-phosphabicyclo[4.3.0]nona-2,4, 10-triene-3-carboxylate
Database identifiers
- CAS
7597-41-3- PubChem CID
- 245178
- DTXSID
DTXSID10288599
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 423
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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