4-(3,5-Dichloro-2-hydroxybenzoyl)-1-phenylpyrazole
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Basic information
- CAS
68287-74-1- Standard SMILES
O=C(c1cnn(-c2ccccc2)c1)c1cc(Cl)cc(Cl)c1O- InChIKey
IOXLIMVYDRGNIK-UHFFFAOYSA-N- Molecular formula
- C16H10Cl2N2O2
- Average molar mass
- 333.2 g/mol
- Monoisotopic mass
- 332.011933
Names & identifiers
- Preferred name
- 4-(3,5-Dichloro-2-hydroxybenzoyl)-1-phenylpyrazole
- IUPAC
- (3,5-dichloro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanone
- English name
- 1-PHENYL-4(3,5-DICHLORO-2-HYDROXYBENZOYL)-PYRAZOLE
- Molecular formula
- C16H10Cl2N2O2
- Molecular weight
- 333.17
Names & synonyms
68287-74-14-(3,5-DICHLORO-2-HYDROXYBENZOYL)-1-PHENYLPYRAZOLE(3,5-dichloro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone3,5-dichloro-2-hydroxyphenyl 1-phenylpyrazol-4-yl ketone1-PHENYL-4(3,5-DICHLORO-2-HYDROXYBENZOYL)-PYRAZOLE(3,5-dichloro-2-hydroxyphenyl)-(1-phenylpyrazol-4-yl)methanoneOprea1_847108SCHEMBL1990486DTXSID00350956IOXLIMVYDRGNIK-UHFFFAOYSA-NSBB001362AKOS000275931
Show more names
TIMTEC-BB SBB001362Methanone, (3,5-dichloro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)-
AG-G-61747ST50308790AK-198/09785004(3,5-dichloro-2-hydroxyphenyl)-(1-phenyl-1H-pyrazol-4-yl)methanone
Database identifiers
- CAS
68287-74-1- PubChem CID
- 688696
- DTXSID
DTXSID00350956
Properties
Computed structural propertiesFilling in
- XLogP
- 4.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 404
Related reactions
1 records
Compound notes
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