Butyric acid, 2-(p-(2H-indazol-2-yl)phenyl)-
Basic information
- CAS
81265-68-1- Standard SMILES
CCC(C(=O)O)c1ccc(-n2cc3ccccc3n2)cc1- InChIKey
BYPWHDXMNNOMGT-UHFFFAOYSA-N- Molecular formula
- C17H16N2O2
- Average molar mass
- 280.32 g/mol
- Monoisotopic mass
- 280.12117776
Names & identifiers
- Preferred name
- Butyric acid, 2-(p-(2H-indazol-2-yl)phenyl)-
- IUPAC
- 2-(4-indazol-2-ylphenyl)butanoic acid
Names & synonyms
M.G. 188602-(p-(2H-Indazol-2-yl)phenyl)butyric acidBUTYRIC ACID, 2-(p-(2H-INDAZOL-2-YL)PHENYL)-81265-68-1RefChem:3312592-[4-(2H-Indazol-2-yl)phenyl]butanoic acidDTXSID801001897
Database identifiers
- CAS
81265-68-1- PubChem CID
- 54728
- DTXSID
DTXSID801001897- Nikkaji
- J77.599A
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 366
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Compound notes
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