6-Bromo-2-isopropylquinoline-4-carboxylic acid
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Basic information
- CAS
401624-46-2- Standard SMILES
CC(C)c1cc(C(=O)O)c2cc(Br)ccc2n1- InChIKey
QUBDAOYYNVYIBJ-UHFFFAOYSA-N- Molecular formula
- C13H12BrNO2
- Average molar mass
- 294.14 g/mol
- Monoisotopic mass
- 293.00514
Names & identifiers
- Preferred name
- 6-Bromo-2-isopropylquinoline-4-carboxylic acid
- IUPAC
- 6-bromo-2-propan-2-ylquinoline-4-carboxylic acid
- English name
- 6-BROMO-2-ISOPROPYL-QUINOLINE-4-CARBOXYLIC ACID
- Molecular formula
- C13H12BrNO2
- Molecular weight
- 294.14
Names & synonyms
6-bromo-2-isopropylquinoline-4-carboxylic acid401624-46-26-bromo-2-propan-2-ylquinoline-4-carboxylic acid6-bromo-2-(propan-2-yl)quinoline-4-carboxylic acid6-Bromo-2-isopropyl-quinoline-4-carboxylic acidChemDiv2_004597HMS1382A21SCHEMBL16833549DTXSID10353791STK041070AKOS000264047SB69811
Show more names
AKOS AUF06126-bromo-2-propan-2-yl-4-quinolinecarboxylic acid4-Quinolinecarboxylic acid, 6-bromo-2-(1-methylethyl)-
IDI1_003312DB-069961CS-0367413ST45092681SR-010001138946-bromo-2-(methylethyl)quinoline-4-carboxylic acidSR-01000113894-1
Database identifiers
- CAS
401624-46-2- PubChem CID
- 753290
- DTXSID
DTXSID10353791
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
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Compound notes
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