Tert-butyl 6-chloro-2-methylquinoline-4-carboxylate
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Basic information
- CAS
1033194-62-5- Standard SMILES
Cc1cc(C(=O)OC(C)(C)C)c2cc(Cl)ccc2n1- InChIKey
KFTZRUWMBAAWHA-UHFFFAOYSA-N- Molecular formula
- C15H16ClNO2
- Average molar mass
- 277.74 g/mol
- Monoisotopic mass
- 277.0869564
Names & identifiers
- Preferred name
- Tert-butyl 6-chloro-2-methylquinoline-4-carboxylate
- IUPAC
- tert-butyl 6-chloro-2-methylquinoline-4-carboxylate
- English name
- 6-(Hydroxymethyl)nicotinic acid
- Molecular formula
- C15H16ClNO2
- Molecular weight
- 277.75
Names & synonyms
TERT-BUTYL 6-CHLORO-2-METHYLQUINOLINE-4-CARBOXYLATE1033194-62-5MFCD11040524tert-Butyl6-chloro-2-methylquinoline-4-carboxylateDTXSID401192777AR3278AKOS027334977SB69410AS-45568CS-0172995F306474tert-butyl 6-chloro-2-methyl-quinoline-4-carboxylate
Show more names
4-Quinolinecarboxylic acid, 6-chloro-2-methyl-, 1,1-dimethylethyl ester
1,1-Dimethylethyl 6-chloro-2-methyl-4-quinolinecarboxylate
Database identifiers
- CAS
1033194-62-5- PubChem CID
- 45926101
- DTXSID
DTXSID401192777
Properties
Computed structural propertiesFilling in
- XLogP
- 4.1
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 375.8 · 375.8±37.0 °C(Predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
- pka
- 2.86 · 2.86±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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