| CAS Number | 87591-00-2 |
| Catalog Number | AG01BEO2(AGN-PC-0JRIJK) |
| Chemical Name | [Chloro(phosphono)methyl]phosphonic acid |
| IUPAC Name | [chloro(phosphono)methyl]phosphonic acid |
| InChI | InChI=1S/CH5ClO6P2/c2-1(9(3,4)5)10(6,7)8/h1H,(H2,3,4,5)(H2,6,7,8) |
| InChI Key | FVXIZAQSPMLAMD-UHFFFAOYSA-N |
| MDL Number | MFCD00184529 |
| Molecular Formula | CH5ClO6P2 |
| Molecular Weight | 210.4473 |
| SMILES | OP(C(P(O)(O)=O)Cl)(O)=O |
| Synonyms | [chloro(phosphono)methyl]phosphonic acid,
87591-00-2,
Phosphonic acid, (chloromethylene)bis-,
(Chloromethylene)bisphosphonic acid,
chloromethane diphosphonate,
AC1LA5C3,
SCHEMBL134878,
chloromethylenebisphosphonic acid,
ZINC59479133,
AKOS001023991,
MCULE-6059785883,
C-H5-Cl-O6-P2,
AIDS185519,
(chloromethylene)bis(phosphonic acid),
CID462036,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.925g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.443g/mol |
| Monoisotopic Mass | 209.925g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 115A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number