| CAS Number | 1374244-00-4 |
| Catalog Number | AG00HUYN |
| Chemical Name | [Ethynyl(phenylmethoxy)phosphoryl]oxymethylbenzene |
| IUPAC Name | [ethynyl(phenylmethoxy)phosphoryl]oxymethylbenzene |
| InChI | InChI=1S/C16H15O3P/c1-2-20(17,18-13-15-9-5-3-6-10-15)19-14-16-11-7-4-8-12-16/h1,3-12H,13-14H2 |
| InChI Key | MQZUGUDRKHIBND-UHFFFAOYSA-N |
| MDL Number | MFCD29059413 |
| Molecular Formula | C16H15O3P |
| Molecular Weight | 286.2623 |
| SMILES | C#CP(=O)(OCC1=CC=CC=C1)OCC2=CC=CC=C2 |
| Synonyms | Dibenzyl ethynylphosphonate,
1374244-00-4,
[ethynyl(phenylmethoxy)phosphoryl]oxymethylbenzene,
Ethynylphosphonic acid dibenzyl ester,
MFCD29059413,
ZINC200902224,
CS-0037955,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 286.267g/mol |
| Monoisotopic Mass | 286.076g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number