Basic information
- CAS
887581-15-9- Standard SMILES
COc1ccc2nc(Cl)c(CCCl)cc2c1- InChIKey
OTXMAJOCDCFNEA-UHFFFAOYSA-N- Molecular formula
- C12H11Cl2NO
- Average molar mass
- 256.12 g/mol
- Monoisotopic mass
- 255.0217694
Names & identifiers
- Preferred name
- 2-Chloro-3-(2-chloroethyl)-6-methoxyquinoline
- IUPAC
- 2-chloro-3-(2-chloroethyl)-6-methoxyquinoline
- English name
- 2-Chloro-3-(2-chloroethyl)-6-methoxyquinoline
- Molecular formula
- C12H11Cl2NO
- Molecular weight
- 256.13
Names & synonyms
2-chloro-3-(2-chloroethyl)-6-methoxyquinoline887581-15-9QUINOLINE, 2-CHLORO-3-(2-CHLOROETHYL)-6-METHOXY-DTXSID30354462ALBB-020208MFCD03001424SBB101683AKOS004910829AB12820DB-078180CS-0330557EU-0063396
Show more names
OTAVA-BB 1049766
2-chloro-3-(2-chloroethyl)-6-methoxy-quinolineAN-829/25073012
Database identifiers
- CAS
887581-15-9- PubChem CID
- 774201
- DTXSID
DTXSID30354462
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 227
Physicochemical properties
- Boiling point
- 384.7 · 384.7±37.0 °C(Predicted)
- Density
- 1.3 · 1.300±0.06 g/cm3(Predicted)
- pka
- 0.11 · 0.11±0.50(Predicted)
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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