Basic information
- CAS
132508-02-2- Standard SMILES
CCOP(=O)(OCC)C1(P(=O)(OCC)OCC)CC(C(=O)c2ccccc2)=NN1- InChIKey
NPLHDPAQRZJWHX-UHFFFAOYSA-N- Molecular formula
- C18H28N2O7P2
- Average molar mass
- 446.4 g/mol
- Monoisotopic mass
- 446.1371745
Names & identifiers
- Preferred name
- Phosphonic acid, (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bis-, tetraethyl ester
- IUPAC
- [5,5-bis(diethoxyphosphoryl)-1,4-dihydropyrazol-3-yl]-phenylmethanone
Names & synonyms
132508-02-2Tetraethyl (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bisphosphonateU-81581Phosphonic acid, (5-benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene)bis-, tetraethyl esterDTXSID60157605RefChem:370505DTXCID4080096SCHEMBL193353CHEMBL283848NPLHDPAQRZJWHX-UHFFFAOYSA-N[5-Benzoyl-2,4-dihydro-3H-pyrazol-3-ylidene]bisphosphonic acid tetraethyl esterU 81581
Show more names
Tetraethyl (3-benzoyl-4,5-dihydro-1H-pyrazole-5,5-diyl)bis(phosphonate)
Database identifiers
- CAS
132508-02-2- PubChem CID
- 3076818
- DTXSID
DTXSID60157605- ChEMBL
CHEMBL283848- Nikkaji
- J531.988I
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 12
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 642
Related reactions
2 records
Compound notes
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