(2,2,2-Trichloro-1-((furan-2-carbonyl)-amino)-ET)-phosphonic acid dimethyl ester
Basic information
- CAS
324068-46-4- Standard SMILES
COP(=O)(OC)C(NC(=O)c1ccco1)C(Cl)(Cl)Cl- InChIKey
NPRISWGXSONKJQ-UHFFFAOYSA-N- Molecular formula
- C9H11Cl3NO5P
- Average molar mass
- 350.5 g/mol
- Monoisotopic mass
- 348.944043
Names & identifiers
- Preferred name
- (2,2,2-Trichloro-1-((furan-2-carbonyl)-amino)-ET)-phosphonic acid dimethyl ester
- IUPAC
- N-(2,2,2-trichloro-1-dimethoxyphosphorylethyl)furan-2-carboxamide
- English name
- (2,2,2-Trichloro-1-((furan-2-carbonyl)-amino)-Et)-phosphonic acid dimethyl ester
- Molecular weight
- 350.52
Names & synonyms
AKOS003620969(2,2,2-TRICHLORO-1-((FURAN-2-CARBONYL)-AMINO)-ET)-PHOSPHONIC ACID DIMETHYL ESTERPhosphonic acid, [2,2,2-trichloro-1-[(2-furanylcarbonyl)amino]ethyl]-, dimethyl ester
Database identifiers
- CAS
324068-46-4- PubChem CID
- 4153469
- EC Number
- 165-452-4
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 367
Physicochemical properties
- Boiling point
- 440.744 · 440.744±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.501 · 1.501±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.019 · 11.019±0.46(predicted)
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Compound notes
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