Basic information
- CAS
67059-22-7- Standard SMILES
Cc1cc(C(=O)O)c2cc(Cl)cc(Cl)c2n1- InChIKey
NHWSMEWGHBKRLI-UHFFFAOYSA-N- Molecular formula
- C11H7Cl2NO2
- Average molar mass
- 256.08 g/mol
- Monoisotopic mass
- 254.9853839
Names & identifiers
- Preferred name
- 6,8-Dichloro-2-methylquinoline-4-carboxylic acid
- IUPAC
- 6,8-dichloro-2-methylquinoline-4-carboxylic acid
- English name
- 6,8-Dichloro-2-Methyl-quinoline-4-carboxylicacid
- Molecular formula
- C11H7Cl2NO2
- Molecular weight
- 256.08
Names & synonyms
67059-22-76,8-dichloro-2-methylquinoline-4-carboxylic acidDTXSID50347356RefChem:306305DTXCID802984286,8-Dichloro-2-methyl-quinoline-4-carboxylic acid6,8-Dichloro-2-methylcinchoninic acidNHWSMEWGHBKRLI-UHFFFAOYSA-NMFCD03769003AKOS010211485SB69629BS-29372
Show more names
4-Quinolinecarboxylic acid, 6,8-dichloro-2-methyl-
DB-359271CS-0208273G106906,8-dichloro-2-methylquinoline-4-carboxylicacid6,8-Dichloro-2-Methyl-quinoline-4-carboxylicacid6,8-Dichloro-2-methyl-4-quinolinecarboxylic acid #
Database identifiers
- CAS
67059-22-7- PubChem CID
- 620495
- DTXSID
DTXSID50347356
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 287
Physicochemical properties
- Melting point
- 236 · 236-237 °C(Solv: ethanol (64-17-5))
- Boiling point
- 407.4 · 407.4±40.0 °C(Predicted)
- Density
- 1.51 · 1.510±0.06 g/cm3(Predicted)
- pka
- 2.82 · 2.82±0.50(Predicted)
Chemistry & industry
Suppliers6 total
杭州品高化工有限公司0571-87658025 · [email protected]
苏州亚衍医药科技有限公司17715136450 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
上海相辉医药科技有限公司[email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +8619957148339 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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