| CAS Number | 100462-72-4 |
| Catalog Number | AG00H98C(AGN-PC-0NUZF0) |
| Chemical Name | Phosphonic acid, (6-bromohexyl)-, diethyl ester |
| IUPAC Name | 1-bromo-6-diethoxyphosphorylhexane |
| InChI | InChI=1S/C10H22BrO3P/c1-3-13-15(12,14-4-2)10-8-6-5-7-9-11/h3-10H2,1-2H3 |
| InChI Key | HIQKURBMYMZOMF-UHFFFAOYSA-N |
| MDL Number | MFCD00135788 |
| Molecular Formula | C10H22BrO3P |
| Molecular Weight | 301.1576 |
| SMILES | CCOP(=O)(CCCCCCBr)OCC |
| Synonyms | diethyl (6-bromohexyl)phosphonate,
diethyl 6-bromohexylphosphonate,
Phosphonicacid,P-(6-bromohexyl)-,diethylester,
100462-72-4,
SCHEMBL864014,
Diethyl-6-bromohexylphosphonate,
HIQKURBMYMZOMF-UHFFFAOYSA-N,
ZINC2508218,
MFCD00135788,
BP-21660,
OR323174,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 300.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.161g/mol |
| Monoisotopic Mass | 300.049g/mol |
| Rotatable Bond Count | 10 |
| 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
Certificate of Analysis
Lot Number