Basic information
- CAS
91481-02-6- Standard SMILES
CC(=O)c1c(C)[nH]c(-c2ccccc2Cl)c1N- InChIKey
TXTMRLJHSIIYMB-UHFFFAOYSA-N- Molecular formula
- C13H13ClN2O
- Average molar mass
- 248.71 g/mol
- Monoisotopic mass
- 248.0716407
Names & identifiers
- Preferred name
- Ethanone, 1-(4-amino-5-(2-chlorophenyl)-2-methyl-1H-pyrrol-3-yl)-
- IUPAC
- 1-[4-amino-5-(2-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
- English name
- 1-[4-amino-5-(2-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
- Molecular formula
- C13H13ClN2O
- Molecular weight
- 0
Names & synonyms
91481-02-61-(4-Amino-5-(2-chlorophenyl)-2-methyl-1H-pyrrol-3-yl)ethanoneETHANONE, 1-(4-AMINO-5-(2-CHLOROPHENYL)-2-METHYL-1H-PYRROL-3-YL)-DTXSID80238586Ketone, (4-amino-5-(o-chlorophenyl)-2-methylpyrrol-3-yl) methylRefChem:341192DTXCID301610771-(4-Amino-5-(2-chlorophenyl)-2-methyl-1H-pyrrol-3-yl)ethan-1-one1-[4-amino-5-(2-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethan-1-one1-[4-amino-5-(2-chlorophenyl)-2-methyl-1H-pyrrol-3-yl]ethanone
Database identifiers
- CAS
91481-02-6- PubChem CID
- 56249
- DTXSID
DTXSID80238586- Nikkaji
- J61.508K
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Physicochemical properties
- Density
- 1.2365 · 1.2365 (rough estimate)
- refractive index
- 1.633 · 1.6330 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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