Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate
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Basic information
- CAS
20641-28-5- Standard SMILES
CCOP(=O)(OCC)C(O)c1ccc(Cl)cc1- InChIKey
RIQJHXWKWXDLFM-UHFFFAOYSA-N- Molecular formula
- C11H16ClO4P
- Average molar mass
- 278.67 g/mol
- Monoisotopic mass
- 278.0474737
Names & identifiers
- Preferred name
- Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonate
- IUPAC
- (4-chlorophenyl)-diethoxyphosphorylmethanol
- English name
- (α-Hydroxy-4-chlorobenzyl)phosphonic acid diethyl ester
- Molecular formula
- C11H16ClO4P
- Molecular weight
- 278.67
Names & synonyms
20641-28-5DTXSID001216711Diethyl P-((4-chlorophenyl)hydroxymethyl)phosphonateDiethyl P-[(4-chlorophenyl)hydroxymethyl]phosphonateRefChem:1083508DTXCID801648039Phosphonic acid, ((4-chlorophenyl)hydroxymethyl)-, diethyl ester(4-chlorophenyl)-diethoxyphosphorylmethanoldiethyl [(4-chlorophenyl)(hydroxy)methyl]phosphonateDiethyl ((4-chlorophenyl)(hydroxy)methyl)phosphonateNSC 404325BRN 1984002
Show more names
(α-Hydroxy-4-chlorobenzyl)phosphonic acid diethyl ester(4-Chlorophenyl)hydroxymethylphosphonic acid diethyl ester[(p-Chlorophenyl)hydroxymethyl]phosphonic acid diethyl esterPhosphonic acid, P-[(4-chlorophenyl)hydroxymethyl]-, diethyl ester
AI3-17767alpha-Toluenephosphonic acid, p-chloro-alpha-hydroxy-, diethyl esterp-Chloro-alpha-hydroxy-alpha-toluenephosphonic acid diethyl esterSCHEMBL11140297RIQJHXWKWXDLFM-UHFFFAOYSA-NPhosphonic acid, (p-chloro-alpha-hydroxybenzyl)-, diethyl esterMFCD00184196NSC404325
Database identifiers
- CAS
20641-28-5- PubChem CID
- 89363
- DTXSID
DTXSID001216711- Nikkaji
- J48.036C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 256
Related reactions
11 records
Compound notes
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