M-TOLYL-PHOSPHONIC ACID DIETHYL ESTER - CAS 15286-13-2
Catalog: |
BB043411 |
Product Name: |
M-TOLYL-PHOSPHONIC ACID DIETHYL ESTER |
CAS: |
15286-13-2 |
Synonyms: |
Diethyl m-tolylphosphonate; Phosphonic acid,P-(3-methylphenyl)-, diethyl ester; Diethyl (3-methylphenyl)phosphonate |
IUPAC Name: | 1-diethoxyphosphoryl-3-methylbenzene |
Description: | M-TOLYL-PHOSPHONIC ACID DIETHYL ESTER (CAS# 15286-13-2 ) is a useful research chemical. |
Molecular Weight: | 228.22 |
Molecular Formula: | C11H17O3P |
Canonical SMILES: | CCOP(=O)(C1=CC=CC(=C1)C)OCC |
InChI: | InChI=1S/C11H17O3P/c1-4-13-15(12,14-5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 |
InChI Key: | PTTQZSAKTKNWSW-UHFFFAOYSA-N |
Boiling Point: | 307.5 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.08 g/cm3 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.0915314 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.0915314 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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