1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
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Basic information
- Standard SMILES
CC(=O)N1c2ccc(Br)cc2CCC1C(=O)O- InChIKey
CYRDVCDTKSMODE-UHFFFAOYSA-N- Molecular formula
- C12H12BrNO3
- Average molar mass
- 298.13 g/mol
Names & identifiers
- Preferred name
- 1-Acetyl-6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid
- IUPAC
- 1-acetyl-6-bromo-3,4-dihydro-2H-quinoline-2-carboxylic acid
Names & synonyms
1-acetyl-6-bromo-1,2,3,4-tetrahydroquinoline-2-carboxylic acid1252780-28-1SCHEMBL911935CYRDVCDTKSMODE-UHFFFAOYSA-NEN300-282898451-Acetyl-6-bromo-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid
Database identifiers
- PubChem CID
- 59625947
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 57.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 334
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Related reactions
18 records
Compound notes
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