3-(2,3-Dichlorophenyl)-1H-pyrazole
Basic information
- CAS
149739-33-3- Standard SMILES
Clc1cccc(-c2ccn[nH]2)c1Cl- InChIKey
VYXMVZNHBHXWTK-UHFFFAOYSA-N- Molecular formula
- C9H6Cl2N2
- Average molar mass
- 213.06 g/mol
- Monoisotopic mass
- 211.9908036
Names & identifiers
- Preferred name
- 3-(2,3-Dichlorophenyl)-1H-pyrazole
- IUPAC
- 5-(2,3-dichlorophenyl)-1H-pyrazole
Names & synonyms
3-(2,3-Dichlorophenyl)-1H-pyrazole149739-33-3SCHEMBL3623272SCHEMBL7853517SCHEMBL7853519SCHEMBL9563030DTXSID201297444MFCD301696371H-Pyrazole, 3-(2,3-dichlorophenyl)-SY407407
Database identifiers
- CAS
149739-33-3- PubChem CID
- 54565502
- DTXSID
DTXSID201297444
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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