Basic information
- CAS
195000-01-2- Standard SMILES
O=P(O)(O)C(Nc1cc(Cl)cc(Cl)c1)P(=O)(O)O- InChIKey
ALPQLQJFTUXTFT-UHFFFAOYSA-N- Molecular formula
- C7H9Cl2NO6P2
- Average molar mass
- 336 g/mol
- Monoisotopic mass
- 334.9282164
Names & identifiers
- Preferred name
- {[(3,5-Dichlorophenyl)amino]methanediyl}bis(phosphonic acid)
- IUPAC
- [(3,5-dichloroanilino)-phosphonomethyl]phosphonic acid
Names & synonyms
{[(3,5-dichlorophenyl)amino]methanediyl}bis(phosphonic acid)195000-01-2(3,5-Dichlorophenylamino)Methylenediphosphonic Acid{[(3,5-dichlorophenyl)amino]methylene}bis(phosphonic acid)NSC722628[[(3,1-bisphosphonateCHEMBL55518DTXSID20328071BDBM50487061NSC-722628[(3,5-Dichloroanilino)methylene]bis(phosphonic acid)BWJ
Database identifiers
- CAS
195000-01-2、19638-17-6- PubChem CID
- 405402
- DTXSID
DTXSID20328071- ChEMBL
CHEMBL55518- Nikkaji
- J2.061.836A
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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