| CAS Number | 179106-93-5 |
| Catalog Number | AG00HZXF(AGN-PC-0399QH) |
| Chemical Name | Tert-Butyl 2-Bromo-2-(Diethoxyphosphoryl)Acetate |
| IUPAC Name | tert-butyl 2-bromo-2-diethoxyphosphorylacetate |
| InChI | InChI=1S/C10H20BrO5P/c1-6-14-17(13,15-7-2)8(11)9(12)16-10(3,4)5/h8H,6-7H2,1-5H3 |
| InChI Key | YLZQCXBJSCWQHB-UHFFFAOYSA-N |
| MDL Number | MFCD25960184 |
| Molecular Formula | C10H20BrO5P |
| Molecular Weight | 331.1406 |
| SMILES | CCOP(=O)(OCC)C(Br)C(=O)OC(C)(C)C |
| Synonyms | 179106-93-5,
bromo(diethoxyphosphoryl)acetic acid tert-butyl ester,
TERT-BUTYL 2-BROMO-2-(DIETHOXYPHOSPHORYL)ACETATE,
SCHEMBL7474281,
YLZQCXBJSCWQHB-UHFFFAOYSA-N,
t-Butyl diethylphosphonobromoacetate,
MFCD25960184,
AKOS030627734,
CS-0037391,
t-Butyl 2-bromo-2-(diethoxyphosphoryl)acetate,
Acetic acid, bromo(diethoxyphosphinyl)-, 1,1-dimethylethyl ester,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 330.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 331.143g/mol |
| Monoisotopic Mass | 330.023g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 61.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number