4-Chloro-1-isoquinolinyl phenyl ether
Basic information
- CAS
69716-17-2- Standard SMILES
Clc1cnc(Oc2ccccc2)c2ccccc12- InChIKey
KVYWDUOQRAUGBV-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO
- Average molar mass
- 255.7 g/mol
- Monoisotopic mass
- 255.0450916
Names & identifiers
- Preferred name
- 4-Chloro-1-isoquinolinyl phenyl ether
- IUPAC
- 4-chloro-1-phenoxyisoquinoline
Names & synonyms
4-Chloro-1-isoquinolinyl phenyl ether69716-17-2NSC 338289DTXSID60220005RefChem:291308DTXCID201424964-Chloro-1-phenoxyisoquinolineNSC3382894-chloro-1-phenoxy-isoquinolineNSC-338289FLZ66T3HJ71-Phenoxy-4-chloroisoquinoline
Show more names
Isoquinoline, 4-chloro-1-phenoxy-
Database identifiers
- CAS
69716-17-2- PubChem CID
- 334053
- DTXSID
DTXSID60220005- UNII
- FLZ66T3HJ7
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 267
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Related reactions
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Compound notes
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