O-(2,4-Dibromo-6-chlorophenyl) O-Ethyl S-Propyl Phosphorothioate
Catalog: |
BB068104 |
Product Name: |
O-(2,4-Dibromo-6-chlorophenyl) O-Ethyl S-Propyl Phosphorothioate |
Synonyms: |
O-(2,4-Dibromo-6-chlorophenyl) O-ethyl S-propyl phosphorothioate; Thiophosphoric acid O-(6-chloro-2,4-dibromophenyl)O-ethyl S-propyl ester |
IUPAC Name: | 1,5-dibromo-3-chloro-2-[ethoxy(propylsulfanyl)phosphoryl]oxybenzene |
Description: | O-(2,4-Dibromo-6-chlorophenyl) O-Ethyl S-Propyl Phosphorothioate is a useful research intermediate. |
Molecular Weight: | 452.53 |
Molecular Formula: | C11H14Br2ClO3PS |
Canonical SMILES: | CCCSP(=O)(OCC)OC1=C(C=C(C=C1Br)Br)Cl |
InChI: | InChI=1S/C11H14Br2ClO3PS/c1-3-5-19-18(15,16-4-2)17-11-9(13)6-8(12)7-10(11)14/h6-7H,3-5H2,1-2H3 |
InChI Key: | VXKBCKFJQRUJHH-UHFFFAOYSA-N |
Complexity: | 324 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 451.84361 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 449.84566 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 60.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 5.4 |
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