4-chloro-1-(2,6-dichlorobenzyl)-3-isothiocyanato-1H-pyrazole
Basic information
- CAS
1004644-13-6- Standard SMILES
S=C=Nc1nn(Cc2c(Cl)cccc2Cl)cc1Cl- InChIKey
POMBMTWGHMAFKR-UHFFFAOYSA-N- Molecular formula
- C11H6Cl3N3S
- Average molar mass
- 318.6 g/mol
Names & identifiers
- Preferred name
- 4-chloro-1-(2,6-dichlorobenzyl)-3-isothiocyanato-1H-pyrazole
- IUPAC
- 4-chloro-1-[(2,6-dichlorophenyl)methyl]-3-isothiocyanatopyrazole
- English name
- 4-Chloro-1-(2,6-dichloro-benzyl)-3-isothiocyanato-1H-pyrazole
- Molecular formula
- C11H6Cl3N3S
- Molecular weight
- 318.61
Names & synonyms
1004644-13-64-chloro-1-(2,6-dichlorobenzyl)-3-isothiocyanato-1H-pyrazole4-chloro-1-[(2,6-dichlorophenyl)methyl]-3-isothiocyanatopyrazole4-chloro-1-[(2,6-dichlorophenyl)methyl]-3-isothiocyanato-1H-pyrazole4-Chloro-1-(2,6-dichloro-benzyl)-3-isothiocyanato-1H-pyrazoleMFCD04971135SBB022537STK312625AKOS000311511CS-0268967EN300-2299141-[(2,6-dichlorophenyl)methyl]-4-chloropyrazol-3-isothiocyanate
Show more names
AKOS B022165ART-CHEM-BB B022165
4-chloro-1-[(2,6-dichlorophenyl)methyl]-3-isothiocyanato-pyrazole
Database identifiers
- CAS
1004644-13-6
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 62.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 327
Related reactions
0 records
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Compound notes
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