Ethanone, 1-(4-amino-5-(3-bromophenyl)-2-methyl-1H-pyrrol-3-yl)-, monohydrochloride
Basic information
- CAS
91481-27-5- Standard SMILES
CC(=O)c1c(C)[nH]c(-c2cccc(Br)c2)c1[NH3+].[Cl-]- InChIKey
SCOKYTBAKODLEQ-UHFFFAOYSA-N- Molecular formula
- C13H14BrClN2O
- Average molar mass
- 329.62 g/mol
- Monoisotopic mass
- 327.9978
Names & identifiers
- Preferred name
- Ethanone, 1-(4-amino-5-(3-bromophenyl)-2-methyl-1H-pyrrol-3-yl)-, monohydrochloride
- IUPAC
- [4-acetyl-2-(3-bromophenyl)-5-methyl-1H-pyrrol-3-yl]azanium chloride
Names & synonyms
Ethanone, 1-(4-amino-5-(3-bromophenyl)-2-methyl-1H-pyrrol-3-yl)-, monohydrochloride91481-27-51-(4-Amino-5-(3-bromophenyl)-2-methyl-1H-pyrrol-3-yl)ethanone hydrochlorideKetone, (4-amino-5-(m-bromophenyl)-2-methylpyrrol-3-yl) methyl, monohydrochlorideRefChem:341196
Database identifiers
- CAS
91481-27-5- PubChem CID
- 56254
Properties
Computed structural properties
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 297
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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