Basic information
- CAS
20943-49-1- Standard SMILES
CCCCOC(=O)c1ccc(-n2nc(OC)c3ccccc32)cc1- InChIKey
LYGMPMRHVUJMFC-UHFFFAOYSA-N- Molecular formula
- C19H20N2O3
- Average molar mass
- 324.4 g/mol
- Monoisotopic mass
- 324.1473925
Names & identifiers
- Preferred name
- Benzoic acid, p-(3-methoxy-1H-indazol-1-yl)-, butyl ester
- IUPAC
- butyl 4-(3-methoxyindazol-1-yl)benzoate
Names & synonyms
ITF 63820943-49-1BENZOIC ACID, p-(3-METHOXY-1H-INDAZOL-1-YL)-, BUTYL ESTERBRN 0830718DTXSID40175120p-(3-Methoxy-1H-indazol-1-yl)benzoic acid butyl ester5-23-11-00251 (Beilstein Handbook Reference)RefChem:327832DTXCID0097611Butyl 4-(3-methoxy-1H-indazol-1-yl)benzoate
Database identifiers
- CAS
20943-49-1- PubChem CID
- 30388
- DTXSID
DTXSID40175120
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 409
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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