4-bromo-7-methyl-1H-indole-6-carboxylic acid
Basic information
- CAS
1167055-60-8- Standard SMILES
Cc1c(C(=O)O)cc(Br)c2cc[nH]c12- InChIKey
MUIZJQQMAUFRNL-UHFFFAOYSA-N- Molecular formula
- C10H8BrNO2
- Average molar mass
- 254.08 g/mol
- Monoisotopic mass
- 252.97384
Names & identifiers
- Preferred name
- 4-bromo-7-methyl-1H-indole-6-carboxylic acid
- IUPAC
- 4-bromo-7-methyl-1H-indole-6-carboxylic acid
- English name
- 4-BroMo-7-Methyl-indole-6-caboxylic acid
- Molecular formula
- C10H8BrNO2
- Molecular weight
- 254.08
Names & synonyms
4-bromo-7-methyl-1H-indole-6-carboxylic acid1167055-60-84-Bromo-7-methyl-indole-6-caboxylic acidSCHEMBL16899501DTXSID601257397G907591H-Indole-6-carboxylic acid, 4-bromo-7-methyl-
Database identifiers
- CAS
1167055-60-8- PubChem CID
- 53399520
- DTXSID
DTXSID601257397
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 246
Physicochemical properties
- Boiling point
- 455.7 · 455.7±45.0 °C(Predicted)
- Density
- 1.73 · 1.730±0.06 g/cm3(Predicted)
- pka
- 3.74 · 3.74±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…