(3-Bromo-4-methoxyphenyl)(isoquinolin-1-yl)methanone
Basic information
- CAS
10134-01-7- Standard SMILES
COc1ccc(C(=O)c2nccc3ccccc23)cc1Br- InChIKey
PUBMUESNYBDJME-UHFFFAOYSA-N- Molecular formula
- C17H12BrNO2
- Average molar mass
- 342.2 g/mol
- Monoisotopic mass
- 341.00514
Names & identifiers
- Preferred name
- (3-Bromo-4-methoxyphenyl)(isoquinolin-1-yl)methanone
- IUPAC
- (3-bromo-4-methoxyphenyl)-isoquinolin-1-ylmethanone
Names & synonyms
10134-01-7(3-bromo-4-methoxyphenyl)(isoquinolin-1-yl)methanoneNSC142994Methanone,(3-bromo-4-methoxyphenyl)-1-isoquinolinyl-DTXSID90906067NSC-142994DS-011361Methanone, (3-bromo-4-methoxyphenyl)-1-isoquinolinyl-
Database identifiers
- CAS
10134-01-7- PubChem CID
- 285674
- DTXSID
DTXSID90906067
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 376
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Compound notes
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