ethyl 4-(diethoxyphosphoryl)benzoate - CAS 17067-92-4
Catalog: |
BB043439 |
Product Name: |
ethyl 4-(diethoxyphosphoryl)benzoate |
CAS: |
17067-92-4 |
Synonyms: |
4-(Diethoxy-phosphoryl)-benzoic acid ethyl ester; Benzoic acid, 4-(diethoxyphosphinyl)-, ethyl ester; SCHEMBL5663123 |
IUPAC Name: | ethyl 4-diethoxyphosphorylbenzoate |
Description: | ethyl 4-(diethoxyphosphoryl)benzoate (CAS# 17067-92-4 ) is a useful research chemical. |
Molecular Weight: | 286.26 |
Molecular Formula: | C13H19O5P |
Canonical SMILES: | CCOC(=O)C1=CC=C(C=C1)P(=O)(OCC)OCC |
InChI: | InChI=1S/C13H19O5P/c1-4-16-13(14)11-7-9-12(10-8-11)19(15,17-5-2)18-6-3/h7-10H,4-6H2,1-3H3 |
InChI Key: | NGVFPROCAZKXQJ-UHFFFAOYSA-N |
Complexity: | 313 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 286.0970107 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 286.0970107 |
Rotatable Bond Count: | 8 |
Topological Polar Surface Area: | 61.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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