Diethyl 4-methoxybenzylphosphonate - CAS 1145-93-3
Catalog: |
BB043363 |
Product Name: |
Diethyl 4-methoxybenzylphosphonate |
CAS: |
1145-93-3 |
Synonyms: |
Diethyl (4-Methoxybenzyl)phosphonate; [(4-Methoxyphenyl)methyl]phosphonic acid diethyl ester; 4-Methoxybenzylphosphonic acid diethyl ester |
IUPAC Name: | 1-(diethoxyphosphorylmethyl)-4-methoxybenzene |
Description: | Diethyl 4-methoxybenzylphosphonate (CAS# 1145-93-3 ) is a useful research chemical. |
Molecular Weight: | 258.25 |
Molecular Formula: | C12H19O4P |
Canonical SMILES: | CCOP(=O)(CC1=CC=C(C=C1)OC)OCC |
InChI: | InChI=1S/C12H19O4P/c1-4-15-17(13,16-5-2)10-11-6-8-12(14-3)9-7-11/h6-9H,4-5,10H2,1-3H3 |
InChI Key: | NKARVHNAACNYGE-UHFFFAOYSA-N |
Boiling Point: | 155 °C (0.5 torr) |
Purity: | 95 % |
Density: | 1.5 g/cm3 |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.10209608 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.10209608 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 44.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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