Basic information
- Standard SMILES
N#Cc1cc(Cl)cc(Oc2c(Cl)ccc3[nH]ncc23)c1- InChIKey
REWTVBRBMJUFLS-UHFFFAOYSA-N- Molecular formula
- C14H7Cl2N3O
- Average molar mass
- 304.1 g/mol
- Monoisotopic mass
- 302.9966172
Names & identifiers
- Preferred name
- 3-chloro-5-[(5-chloro-1H-indazol-4-yl)oxy]benzonitrile
- IUPAC
- 3-chloro-5-[(5-chloro-1H-indazol-4-yl)oxy]benzonitrile
Names & synonyms
3-chloro-5-[(5-chloro-1H-indazol-4-yl)oxy]benzonitrileSCHEMBL2884021REWTVBRBMJUFLS-UHFFFAOYSA-NDB-4248181034474-32-2
Database identifiers
- PubChem CID
- 56833643
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 399
Related reactions
6 records
Compound notes
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