Basic information
- CAS
50593-72-1- Standard SMILES
COc1ccc2nc(-c3ccccc3)cc(Cl)c2c1- InChIKey
JUDKYVTYOZVODY-UHFFFAOYSA-N- Molecular formula
- C16H12ClNO
- Average molar mass
- 269.72 g/mol
- Monoisotopic mass
- 269.0607417
Names & identifiers
- Preferred name
- 4-Chloro-6-methoxy-2-phenylquinoline
- IUPAC
- 4-chloro-6-methoxy-2-phenylquinoline
- English name
- 4-Chloro-6-methoxy-2-phenylquinoline
- Molecular formula
- C16H12ClNO
- Molecular weight
- 269.73
Names & synonyms
4-chloro-6-methoxy-2-phenylquinoline50593-72-1DTXSID20353161RefChem:291870DTXCID70304224Quinoline,4-chloro-6-methoxy-2-phenyl-Oprea1_364366SCHEMBL6534209JUDKYVTYOZVODY-UHFFFAOYSA-NMFCD00023968AKOS0026739524-chloro-6-methoxy-2-phenyl-quinoline
Show more names
Quinoline, 4-chloro-6-methoxy-2-phenyl-
DB-262997AE-562/12222923
Database identifiers
- CAS
50593-72-1- PubChem CID
- 737014
- DTXSID
DTXSID20353161
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 121 °C · 121 °C
- Boiling point
- 414.3 · 414.3±40.0 °C(Predicted)
- Density
- 1.237 · 1.237±0.06 g/cm3(Predicted)
- pka
- 2.9 · 2.90±0.13(Predicted)
- Hazard Note
- Harmful
- HS Code
- 2933499090 · 2933499090
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
- hs_code
- 2933499090
- hazard_note
- Harmful
Chemistry & industry
Suppliers4 total
BioBlocks Incorporated[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
APOLLO-NMR[email protected]
Related reactions
3 records
Compound notes
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