Ethanone, 1-(4-amino-5-(3,4-dichlorophenyl)-2-methyl-1H-pyrrol-3-yl)-
Basic information
- CAS
91480-92-1- Standard SMILES
CC(=O)c1c(C)[nH]c(-c2ccc(Cl)c(Cl)c2)c1N- InChIKey
QYFTYNDVFQJBRY-UHFFFAOYSA-N- Molecular formula
- C13H12Cl2N2O
- Average molar mass
- 283.15 g/mol
- Monoisotopic mass
- 282.0326684
Names & identifiers
- Preferred name
- Ethanone, 1-(4-amino-5-(3,4-dichlorophenyl)-2-methyl-1H-pyrrol-3-yl)-
- IUPAC
- 1-[4-amino-5-(3,4-dichlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
- English name
- 1-[4-amino-5-(3,4-dichlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
- Molecular formula
- C13H12Cl2N2O
- Molecular weight
- 0
Names & synonyms
91480-92-11-[4-amino-5-(3,4-dichlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone1-(4-Amino-5-(3,4-dichlorophenyl)-2-methyl-1H-pyrrol-3-yl)ethanoneETHANONE, 1-(4-AMINO-5-(3,4-DICHLOROPHENYL)-2-METHYL-1H-PYRROL-3-YL)-DTXSID00238583Ketone, (4-amino-5-(3,4-dichlorophenyl)-2-methylpyrrol-3-yl) methylRefChem:341194DTXCID501610741-(4-Amino-5-(3,4-dichlorophenyl)-2-methyl-1H-pyrrol-3-yl)ethan-1-one1-[4-amino-5-(3,4-dichlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one
Database identifiers
- CAS
91480-92-1- PubChem CID
- 56246
- DTXSID
DTXSID00238583- Nikkaji
- J61.509I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 326
Physicochemical properties
- Density
- 1.3867 · 1.3867 (rough estimate)
- refractive index
- 1.549 · 1.5490 (estimate)
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Compound notes
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