| CAS Number | 189099-56-7 |
| Catalog Number | AG002HV4(AGN-PC-07827T) |
| Chemical Name | Phosphonic acid, [(4-bromophenyl)chloromethyl]-, diphenyl ester (9CI) |
| IUPAC Name | 1-bromo-4-[chloro(diphenoxyphosphoryl)methyl]benzene |
| InChI | InChI=1S/C19H15BrClO3P/c20-16-13-11-15(12-14-16)19(21)25(22,23-17-7-3-1-4-8-17)24-18-9-5-2-6-10-18/h1-14,19H |
| InChI Key | ZSYMFYMYJVSPDH-UHFFFAOYSA-N |
| MDL Number | MFCD15072158 |
| Molecular Formula | C19H15BrClO3P |
| Molecular Weight | 437.6514 |
| SMILES | BrC1=CC=C(C=C1)C(Cl)P(OC1=CC=CC=C1)(OC1=CC=CC=C1)=O |
| Synonyms | Diphenyl 4-Bromo-alpha-chlorobenzylphosphonate,
189099-56-7,
ACMC-209es8,
CTK4E0021,
DTXSID70659827,
ANW-23430,
MFCD15072158,
AKOS015835691,
RTR-036010,
TR-036010,
D3875,
1-bromo-4-[chloro(diphenoxyphosphoryl)methyl]benzene,
Diphenyl [(4-bromophenyl)(chloro)methyl]phosphonate,
J-012196,
4-Bromo-alpha-chlorobenzylphosphonic Acid Diphenyl Ester,
diphenyl4-bromo-alpha-chlorobenzylphosphonate,
|
| Complexity | 420 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 435.963g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 25 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 437.654g/mol |
| Monoisotopic Mass | 435.963g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number