4-Chloro-2-methyl-6-nitroquinoline
Basic information
- CAS
1207-81-4- Standard SMILES
Cc1cc(Cl)c2cc([N+](=O)[O-])ccc2n1- InChIKey
JLGPAZQKQYSOTR-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2O2
- Average molar mass
- 222.63 g/mol
- Monoisotopic mass
- 222.0196052
Names & identifiers
- Preferred name
- 4-Chloro-2-methyl-6-nitroquinoline
- IUPAC
- 4-chloro-2-methyl-6-nitroquinoline
- English name
- 4-Chloro-2-methyl-6-nitroquinoline
- Molecular formula
- C10H7ClN2O2
- Molecular weight
- 222.63
Names & synonyms
4-Chloro-2-methyl-6-nitroquinoline1207-81-44-chloro-2-methyl-6-nitro-quinolineSCHEMBL3763346DTXSID10408174JLGPAZQKQYSOTR-UHFFFAOYSA-NBAA20781SBB038067AKOS000267973SB71929DA-14402EN300-132229
Show more names
AKOS BBS-00000122IFLAB-BB F1901-0064Quinoline, 4-chloro-2-methyl-6-nitro-
F494701F1901-0064
Database identifiers
- CAS
1207-81-4- PubChem CID
- 5084949
- DTXSID
DTXSID10408174
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
Physicochemical properties
- Melting point
- 142 °C · 142 °C
- Boiling point
- 355.1 · 355.1±37.0 °C(Predicted)
- Density
- 1.419 · 1.419±0.06 g/cm3(Predicted)
- pka
- 2.62 · 2.62±0.50(Predicted)
Related reactions
1 records
Compound notes
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