4-(3-chlorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde
Basic information
- CAS
338978-14-6- Standard SMILES
Cn1cc(C(=O)c2cccc(Cl)c2)cc1C=O- InChIKey
HGYPWKCEDGGCLD-UHFFFAOYSA-N- Molecular formula
- C13H10ClNO2
- Average molar mass
- 247.67 g/mol
- Monoisotopic mass
- 247.0400063
Names & identifiers
- Preferred name
- 4-(3-chlorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde
- IUPAC
- 4-(3-chlorobenzoyl)-1-methylpyrrole-2-carbaldehyde
- English name
- 4-(3-Chlorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde
- Molecular formula
- C13H10ClNO2
- Molecular weight
- 247.68
Names & synonyms
4-(3-chlorobenzoyl)-1-methyl-1H-pyrrole-2-carbaldehyde338978-14-6MFCD001734974-(3-chlorobenzoyl)-1-methylpyrrole-2-carbaldehyde4-(3-Chlorobenzoyl)-1-methyl-1H-pyrrole-2- carbaldehydeSCHEMBL2457624DTXSID201199527SBB100321AKOS005071292CS-03277009F-0134-(3-chlorobenzoyl)-1-methyl-pyrrole-2-carbaldehyde
Show more names
1H-Pyrrole-2-carboxaldehyde, 4-(3-chlorobenzoyl)-1-methyl-
4-(3-Chlorobenzoyl)-1-methyl-1H-pyrrole-2-carboxaldehyde4-[(3-chlorophenyl)carbonyl]-1-methylpyrrole-2-carbaldehyde
Database identifiers
- CAS
338978-14-6- PubChem CID
- 2764482
- DTXSID
DTXSID201199527
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 39.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 137 · 137-139°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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