Diethyl 2-Chlorobenzylphosphonate - CAS 29074-98-4
Catalog: |
BB020082 |
Product Name: |
Diethyl 2-Chlorobenzylphosphonate |
CAS: |
29074-98-4 |
Synonyms: |
1-chloro-2-(diethoxyphosphorylmethyl)benzene; 1-chloro-2-(diethoxyphosphorylmethyl)benzene |
IUPAC Name: | 1-chloro-2-(diethoxyphosphorylmethyl)benzene |
Description: | Diethyl 2-Chlorobenzylphosphonate (CAS# 29074-98-4) is a useful research chemical. |
Molecular Weight: | 262.67 |
Molecular Formula: | C11H16ClO3P |
Canonical SMILES: | CCOP(=O)(CC1=CC=CC=C1Cl)OCC |
InChI: | InChI=1S/C11H16ClO3P/c1-3-14-16(13,15-4-2)9-10-7-5-6-8-11(10)12/h5-8H,3-4,9H2,1-2H3 |
InChI Key: | GKGLKJMZAVRUQO-UHFFFAOYSA-N |
LogP: | 4.10610 |
Publication Number | Title | Priority Date |
CN-107709314-A | Efflux pump inhibitor and its therapeutic use | 20150611 |
EP-3131145-A1 | Polymer electrolyte composition and polymer electrolyte membrane, membrane-electrolyte assembly, and solid polymer fuel cell using same | 20140407 |
EP-3131145-B1 | Polymer electrolyte composition and polymer electrolyte membrane, membrane-electrolyte assembly, and solid polymer fuel cell using same | 20140407 |
US-2013310558-A1 | Synthesis, structure and use of functionalized naphthalenes | 20120516 |
US-2013315841-A1 | Functionalized naphthalene fluorophores | 20120516 |
Complexity: | 237 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.0525591 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.0525591 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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