| CAS Number | 86791-04-0 |
| Catalog Number | AG00392B(AGN-PC-02IJ8D) |
| Chemical Name | Diethyl(4-chlorobutyl)phosphonate |
| IUPAC Name | 1-chloro-4-diethoxyphosphorylbutane |
| InChI | InChI=1S/C8H18ClO3P/c1-3-11-13(10,12-4-2)8-6-5-7-9/h3-8H2,1-2H3 |
| InChI Key | NFDOTROBGXYZAB-UHFFFAOYSA-N |
| MDL Number | MFCD16876771 |
| Molecular Formula | C8H18ClO3P |
| Molecular Weight | 228.6535 |
| SMILES | C(C)OP(OCC)(=O)CCCCCl |
| Synonyms | Diethyl(4-chlorobutyl)phosphonate,
86791-04-0,
Diethyl (4-chlorobutyl)phosphonate,
1-chloro-4-diethoxyphosphoryl-butane,
SCHEMBL8656736,
diethyl 4-chlorobutanephosphonate,
diethyl 4-chlorobutane-phosphonate,
NFDOTROBGXYZAB-UHFFFAOYSA-N,
KS-000001GO,
MFCD16876771,
ZINC96394987,
AKOS017343407,
Phosphonic acid, (4-chlorobutyl)-, diethyl ester,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.653g/mol |
| Monoisotopic Mass | 228.068g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number