Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl diethyl ester
Basic information
- CAS
32306-30-2- Standard SMILES
CCOP(=O)(OCC)Oc1noc(-c2ccccc2)c1Cl- InChIKey
BBCWAAAUDNPDNG-UHFFFAOYSA-N- Molecular formula
- C13H15ClNO5P
- Average molar mass
- 331.69 g/mol
- Monoisotopic mass
- 331.0376373
Names & identifiers
- Preferred name
- Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl diethyl ester
- IUPAC
- (4-chloro-5-phenyl-1,2-oxazol-3-yl) diethyl phosphate
Names & synonyms
32306-30-2Phosphoric acid, 4-chloro-5-phenyl-3-isoxazolyl diethyl esterRefChem:10953764-Chloro-5-phenylisoxazol-3-yl diethyl phosphate4-Chloro-5-phenyl-3-isoxazolyl diethyl phosphate4-chloro-5-phenyl-1,2-oxazol-3-yl diethyl phosphateDTXSID20954112
Database identifiers
- CAS
32306-30-2- PubChem CID
- 208504
- DTXSID
DTXSID20954112
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 70.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 356
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Compound notes
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