Phosphoric acid, 2,5-dimethylphenyl 2,6-dimethylphenyl phenyl ester
Basic information
- CAS
73179-45-0- Standard SMILES
Cc1ccc(C)c(OP(=O)(Oc2ccccc2)Oc2c(C)cccc2C)c1- InChIKey
MZTGZPADTBHKSB-UHFFFAOYSA-N- Molecular formula
- C22H23O4P
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 382.13339621
Names & identifiers
- Preferred name
- Phosphoric acid, 2,5-dimethylphenyl 2,6-dimethylphenyl phenyl ester
- IUPAC
- (2,5-dimethylphenyl) (2,6-dimethylphenyl) phenyl phosphate
Names & synonyms
2,5-Xylyl 2,6-xylyl phenyl phosphate73179-45-0Phosphoric acid, 2,5-dimethylphenyl 2,6-dimethylphenyl phenyl esterDTXSID809939062,5-dimethylphenyl 2,6-dimethylphenyl phenyl phosphate
Database identifiers
- CAS
73179-45-0- PubChem CID
- 93433
- DTXSID
DTXSID80993906
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 495
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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