Basic information
- Standard SMILES
O=C(O)c1ccc(-n2ncc3cc(I)ccc32)cc1- InChIKey
JDVTYLSVPKVMIM-UHFFFAOYSA-N- Molecular formula
- C14H9IN2O2
- Average molar mass
- 364.14 g/mol
- Monoisotopic mass
- 363.97088
Names & identifiers
- Preferred name
- 4-(5-Iodoindazole-1-yl)-benzoic acid
- IUPAC
- 4-(5-iodoindazol-1-yl)benzoic acid
Names & synonyms
SCHEMBL836441JDVTYLSVPKVMIM-UHFFFAOYSA-N4-(5-iodoindazole-1-yl)-benzoic acid4-(5-iodo-1H-indazol-1-yl)benzoic acid
Database identifiers
- PubChem CID
- 59339745
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 344
Related reactions
9 records
Compound notes
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