Basic information
- CAS
2914-09-2- Standard SMILES
Nc1nc(Cl)nc2nc(Cl)[nH]c12- InChIKey
KTWHRTDJQIMWMY-UHFFFAOYSA-N- Molecular formula
- C5H3Cl2N5
- Average molar mass
- 204.01 g/mol
- Monoisotopic mass
- 202.9765505
Names & identifiers
- Preferred name
- 2,8-Dichloro-1H-adenine
- IUPAC
- 2,8-dichloro-7H-purin-6-amine
- English name
- 2,8-dichloro-1H-adenine
- Molecular formula
- C5H3Cl2N5
- Molecular weight
- 204.01682
Names & synonyms
2,8-Dichloro-1H-adenine2914-09-22,8-dichloro-7H-purin-6-amine2,8-dichloro-9H-Purin-6-amine2,8-dichloroadenineEINECS 220-827-2SCHEMBL7526936SCHEMBL7526938Y88VDH2U98DTXSID70183394KTWHRTDJQIMWMY-UHFFFAOYSA-N9H-Purin-6-amine, 2,8-dichloro-
Show more names
2,8-Dichloro-1H-purin-6-amine6-Amino-2,8-dichloro-1H-purine
NS00049582AC-907/34126008
Database identifiers
- CAS
2914-09-2- PubChem CID
- 76202
- DTXSID
DTXSID70183394- UNII
- Y88VDH2U98
- EC Number
- 220-827-2
- Nikkaji
- J306.836F
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 80.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 179
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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