| CAS Number | 79932-99-3 |
| Catalog Number | AG004Z8Y(AGN-PC-00NSDT) |
| Chemical Name | methyl 2-(diphenylphosphanyl)benzoate |
| IUPAC Name | methyl 2-diphenylphosphanylbenzoate |
| InChI | InChI=1S/C20H17O2P/c1-22-20(21)18-14-8-9-15-19(18)23(16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-15H,1H3 |
| InChI Key | VWTREAQKLNMBGC-UHFFFAOYSA-N |
| MDL Number | MFCD32206308 |
| Molecular Formula | C20H17O2P |
| Molecular Weight | 320.3215 |
| SMILES | COC(=O)c1ccccc1P(c1ccccc1)c1ccccc1 |
| Synonyms | 79932-99-3,
Benzoic acid, 2-(diphenylphosphino)-, methyl ester,
SCHEMBL1417759,
CTK2G3247,
DTXSID60548170,
Methyl 2-diphenylphosphinobenzoate,
VWTREAQKLNMBGC-UHFFFAOYSA-N,
Methyl 2-(diphenylphosphanyl)benzoate,
2-methoxycarbonylphenyldiphenylphosphine,
2-(diphenylphosphino)benzoic acid methyl ester,
methyl 2-diphenylphosphanylbenzoate,
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| Complexity | 354 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.328g/mol |
| Monoisotopic Mass | 320.097g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number