| CAS Number | 63909-55-7 |
| Catalog Number | AG01EWRE(AGN-PC-0N2R7P) |
| Chemical Name | (2-Bromobenzyl)phosphonic acid diethyl ester |
| IUPAC Name | 1-bromo-2-(diethoxyphosphorylmethyl)benzene |
| InChI | InChI=1S/C11H16BrO3P/c1-3-14-16(13,15-4-2)9-10-7-5-6-8-11(10)12/h5-8H,3-4,9H2,1-2H3 |
| InChI Key | HOSRNZRYSLDCGZ-UHFFFAOYSA-N |
| MDL Number | MFCD09836350 |
| Molecular Formula | C11H16BrO3P |
| Molecular Weight | 307.1207 |
| SMILES | CCOP(=O)(Cc1ccccc1Br)OCC |
| Synonyms | Diethyl 2-bromobenzylphosphonate,
63909-55-7,
Diethyl (2-Bromobenzyl)phosphonate,
(2-Bromobenzyl)phosphonic acid diethyl ester,
Diethyl o-bromobenzylphosphonate,
SCHEMBL2008228,
CTK2A7979,
DTXSID90507432,
HOSRNZRYSLDCGZ-UHFFFAOYSA-N,
ZINC38539274,
AKOS005067518,
SC-90624,
Diethyl [(2-bromophenyl)methyl]phosphonate,
1-Bromo-2-(diethoxyphosphinylmethyl)benzene,
(2-bromobenzyl)-phosphonic acid diethyl ester,
(2-Bromo-benzyl)-phosphonic acid diethyl ester,
Phosphonic acid, [(2-bromophenyl)methyl]-, diethyl ester,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 306.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 307.124g/mol |
| Monoisotopic Mass | 306.002g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number