Basic information
- Standard SMILES
COC(=O)c1nn(C(F)F)cc1Cl- InChIKey
CFAMMSRDCCVUAS-UHFFFAOYSA-N- Molecular formula
- C6H5ClF2N2O2
- Average molar mass
- 210.56 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-1-difluoromethyl-1H-pyrazole-3-carboxylic acid methyl ester
- IUPAC
- methyl 4-chloro-1-(difluoromethyl)pyrazole-3-carboxylate
Names & synonyms
1310351-06-4methyl 4-chloro-1-(difluoromethyl)-1H-pyrazole-3-carboxylate4-Chloro-1-difluoromethyl-1H-pyrazole-3-carboxylic acid methyl estermethyl 4-chloro-1-(difluoromethyl)pyrazole-3-carboxylateSCHEMBL569699MFCD29054275AKOS030252753DA-46238
Database identifiers
- PubChem CID
- 57475883
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 205
Related reactions
14 records
Compound notes
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