DIETHYL(TROC-AMINO)BROMOMETHYLPHOSPHONATE - CAS 108217-08-9
Catalog: |
BB043353 |
Product Name: |
DIETHYL(TROC-AMINO)BROMOMETHYLPHOSPHONATE |
CAS: |
108217-08-9 |
Synonyms: |
DTXSID70378682; AKOS017343397; Diethyl (bromo{[(2,2,2-trichloroethoxy)carbonyl]amino}methyl)phosphonate; [[(2,2,2-Trichloroethoxycarbonyl)amino]bromomethyl]phosphonic acid diethyl ester |
IUPAC Name: | 2,2,2-trichloroethyl N-[bromo(diethoxyphosphoryl)methyl]carbamate |
Description: | DIETHYL(TROC-AMINO)BROMOMETHYLPHOSPHONATE (CAS# 108217-08-9 ) is a useful research chemical. |
Molecular Weight: | 421.44 |
Molecular Formula: | C8H14BrCl3NO5P |
Canonical SMILES: | CCOP(=O)(C(NC(=O)OCC(Cl)(Cl)Cl)Br)OCC |
InChI: | InChI=1S/C8H14BrCl3NO5P/c1-3-17-19(15,18-4-2)6(9)13-7(14)16-5-8(10,11)12/h6H,3-5H2,1-2H3,(H,13,14) |
InChI Key: | IUJFSIXZTNNRGB-UHFFFAOYSA-N |
Boiling Point: | 418.9 °C at 760 mmHg |
Purity: | 98 % |
Density: | 1.636 g/cm3 |
Complexity: | 331 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 418.88586 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 418.88586 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 73.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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