Basic information
- CAS
296244-19-4- Standard SMILES
O=C(O)c1cc(-c2ccco2)nc2ccc(Br)cc12- InChIKey
LZLBRWWWEBHEDO-UHFFFAOYSA-N- Molecular formula
- C14H8BrNO3
- Average molar mass
- 318.12 g/mol
- Monoisotopic mass
- 316.96876
Names & identifiers
- Preferred name
- 6-Bromo-2-(2-furanyl)-4-quinolinecarboxylic acid
- IUPAC
- 6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acid
- English name
- 6-bromo-2-(2-furyl)quinoline-4-carboxylic acid
- Molecular formula
- C14H8BrNO3
- Molecular weight
- 318.12
Names & synonyms
296244-19-46-bromo-2-(2-furanyl)-4-quinolinecarboxylic acidRefChem:3073876-bromo-2-(2-furyl)quinoline-4-carboxylic acid6-bromo-2-(furan-2-yl)quinoline-4-carboxylic acidMFCD01141800SMR000033614MLS0000476036-bromo-2-(2-furyl)-4-quinolinecarboxylic acidTimTec1_004709Oprea1_018949Oprea1_211436
Show more names
ST4052579A2184/00917906-bromo-2-(2-furyl)cinchoninic acid4-Quinolinecarboxylic acid, 6-bromo-2-(2-furanyl)-
MLS003881462cid_686152CHEMBL1393131REGID_for_CID_686152SCHEMBL12488937BDBM40048LZLBRWWWEBHEDO-UHFFFAOYSA-NDTXSID501237728
Database identifiers
- CAS
296244-19-4- PubChem CID
- 686152
- DTXSID
DTXSID501237728- ChEMBL
CHEMBL1393131
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 481 · 481.0±45.0 °C(Predicted)
- Density
- 1.643 · 1.643±0.06 g/cm3(Predicted)
- pka
- 0.74 · 0.74±0.30(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
4 records
Compound notes
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