Basic information
- CAS
663941-71-7- Standard SMILES
ClCCn1cc(Cl)cn1- InChIKey
VXZXLRNAFILGIY-UHFFFAOYSA-N- Molecular formula
- C5H6Cl2N2
- Average molar mass
- 165.02 g/mol
Names & identifiers
- Preferred name
- 4-chloro-1-(2-chloroethyl)-1H-pyrazole
- IUPAC
- 4-chloro-1-(2-chloroethyl)pyrazole
- English name
- 1H-Pyrazole,4-chloro-1-(2-chloroethyl)-(9CI)
- Molecular formula
- C5H6Cl2N2
- Molecular weight
- 165.02
Names & synonyms
663941-71-74-chloro-1-(2-chloroethyl)-1H-pyrazole1H-Pyrazole, 4-chloro-1-(2-chloroethyl)-1-(2-Chloroethyl)-4-chloro-1H-pyrazoleSCHEMBL1935034VXZXLRNAFILGIY-UHFFFAOYSA-NDB-2679361H-Pyrazole,4-chloro-1-(2-chloroethyl)-(9CI)
Database identifiers
- CAS
663941-71-7- Nikkaji
- J1.990.787B
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 89
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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