(2,2-Dichloro-1-pivalamidovinyl)phosphonic acid
Basic information
- CAS
294653-46-6- Standard SMILES
CC(C)(C)C(=O)NC(=C(Cl)Cl)P(=O)(O)O- InChIKey
KWMDRTWSEXHQAL-UHFFFAOYSA-N- Molecular formula
- C7H12Cl2NO4P
- Average molar mass
- 276.05 g/mol
- Monoisotopic mass
- 274.9881002
Names & identifiers
- Preferred name
- (2,2-Dichloro-1-pivalamidovinyl)phosphonic acid
- IUPAC
- [2,2-dichloro-1-(2,2-dimethylpropanoylamino)ethenyl]phosphonic acid
Names & synonyms
MLS000087718294653-46-6(2,2-dichloro-1-pivalamidovinyl)phosphonic acidSMR0000239392,2-dichloro-1-[(2,2-dimethylpropanoyl)amino]vinylphosphonic acid[2,2-dichloro-1-(2,2-dimethylpropanoylamino)ethenyl]phosphonic acidPhosphonic acid, [2,2-dichloro-1-[(2,2-dimethyl-1-oxopropyl)amino]ethenyl]-CHEMBL1587782BDBM40966cid_3239295DTXSID301143915HMS2437O19
Show more names
HTS27633STK821167AKOS003618445ST45245342SR-01000080414SR-01000080414-1[2,2-dichloro-1-(pivaloylamino)vinyl]phosphonic acidF0288-0045
Database identifiers
- CAS
294653-46-6- PubChem CID
- 3239295
- DTXSID
DTXSID301143915- ChEMBL
CHEMBL1587782
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 337
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Related reactions
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Compound notes
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