Basic information
- CAS
56961-79-6- Standard SMILES
Cc1c(Cl)cnc2ccccc12- InChIKey
GXLBMEWXUAEPIY-UHFFFAOYSA-N- Molecular formula
- C10H8ClN
- Average molar mass
- 177.63 g/mol
- Monoisotopic mass
- 177.034527
Names & identifiers
- Preferred name
- Quinoline, 3-chloro-4-methyl-
- IUPAC
- 3-chloro-4-methylquinoline
- English name
- 3-Chloro-4-methylquinoline
- Molecular formula
- C10H8ClN
- Molecular weight
- 177.63
Names & synonyms
3-Chloro-4-methylquinolineQuinoline, 3-chloro-4-methyl-CCRIS 7772DTXSID60205534RefChem:378563DTXCID9012802556961-79-63-ChlorlepidinSCHEMBL3151805GXLBMEWXUAEPIY-UHFFFAOYSA-NAKOS006277483SB68153
Show more names
NCGC00188284-01DB-081677
Database identifiers
- CAS
56961-79-6- PubChem CID
- 92597
- DTXSID
DTXSID60205534
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 12.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 160
Physicochemical properties
- Melting point
- 53.5 · 53.5-54.5 °C(Solv: hexane (110-54-3))
- Boiling point
- 277.9 · 277.9±20.0 °C(Predicted)
- Density
- 1.225 · 1.225±0.06 g/cm3(Predicted)
- pka
- 3.22 · 3.22±0.24(Predicted)
Chemistry & industry
Suppliers3 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
济南千叶医药技术有限公司0531-81313138 13066006660 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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