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Basic information
- Standard SMILES
C=Cn1cnc2c(Cl)nc(I)nc21- InChIKey
SRQTUBRSXTVSRZ-UHFFFAOYSA-N- Molecular formula
- C7H4ClIN4
- Average molar mass
- 306.49 g/mol
- Monoisotopic mass
- 305.91692
Names & identifiers
- Preferred name
- 6-chloro-2-iodo-9-vinyl-9H-purine
- IUPAC
- 6-chloro-9-ethenyl-2-iodopurine
Names & synonyms
6-chloro-2-iodo-9-vinyl-9H-purineSCHEMBL4137935SRQTUBRSXTVSRZ-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 57742400
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 43.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Related reactions
3 records
Compound notes
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