Basic information
- CAS
5444-43-9- Standard SMILES
Clc1cccc(NC2=NC=NC3=NC=NC32)c1- InChIKey
LRKAZGGVXFQWBN-UHFFFAOYSA-N- Molecular formula
- C11H8ClN5
- Average molar mass
- 245.67 g/mol
- Monoisotopic mass
- 245.046823
Names & identifiers
- Preferred name
- N-(3-chlorophenyl)-5H-purin-6-amine
- IUPAC
- N-(3-chlorophenyl)-5H-purin-6-amine
Names & synonyms
N-(3-chlorophenyl)-5H-purin-6-amineDTXSID70328309
Database identifiers
- CAS
5444-43-9- PubChem CID
- 409172
- DTXSID
DTXSID70328309
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 61.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 426
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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