Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester

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Basic information

CAS: 14143-09-0
Standard SMILES: CCOP(=O)(OCC)Oc1ccc(S(C)(=O)=O)c(C)c1
InChIKey: XYHXRVYYEZNNPU-UHFFFAOYSA-N
Molecular formula: C12H19O6PS
Average molar mass: 322.32 g/mol
Monoisotopic mass: 322.06399649

Names & identifiers

Preferred name: Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester
IUPAC: diethyl (3-methyl-4-methylsulfonylphenyl) phosphate

Names & synonyms

BRN 2005805Phosphoric acid, diethyl 3-methyl-4-(methylsulfonyl)phenyl ester14143-09-0O,O-Diethyl O-(3-methyl-(4-methylsulfonyl))phenyl phosphateDTXSID80161729RefChem:370946DTXCID0084220Diethyl 4-(methanesulfonyl)-3-methylphenyl phosphate

Database identifiers

CAS: 14143-09-0
PubChem CID: 203307
DTXSID: DTXSID80161729

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 87.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 7
Heavy atoms: 20
Formal charge: 0
Complexity: 433

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Compound notes

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