Basic information
- CAS
338749-87-4- Standard SMILES
Cc1c(C=O)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cc(Cl)cc(Cl)c1- InChIKey
LPHRIFBQWNOWOP-UHFFFAOYSA-N- Molecular formula
- C19H15Cl2NO3S
- Average molar mass
- 408.3 g/mol
Names & identifiers
- Preferred name
- 1-(3,5-dichlorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrole-3-carbaldehyde
- IUPAC
- 1-(3,5-dichlorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole-3-carbaldehyde
- English name
- 1-(3,5-Dichlorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrole-3-carbaldehyde
- Molecular formula
- C19H15Cl2NO3S
- Molecular weight
- 408.3
Names & synonyms
338749-87-41-(3,5-dichlorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-1H-pyrrole-3-carbaldehyde1-(3,5-dichlorophenyl)-5-(4-methanesulfonylphenyl)-2-methyl-1H-pyrrole-3-carbaldehyde1-(3,5-dichlorophenyl)-2-methyl-5-(4-methylsulfonylphenyl)pyrrole-3-carbaldehyde1-(3,5-Dichlorophenyl)-2-methyl-5-(4-(methylsulfonyl)phenyl)-1h-pyrrole-3-carbaldehydeOprea1_691379AKOS0050928304N-403SDB-1903601H-Pyrrole-3-carboxaldehyde, 1-(3,5-dichlorophenyl)-2-methyl-5-[4-(methylsulfonyl)phenyl]-
Database identifiers
- CAS
338749-87-4
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 590
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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