2-Chloro-N-hydroxyadenine
Basic information
- CAS
19152-67-1- Standard SMILES
ONc1nc(Cl)nc2nc[nH]c12- InChIKey
OLYQHURYSIGULU-UHFFFAOYSA-N- Molecular formula
- C5H4ClN5O
- Average molar mass
- 185.57 g/mol
- Monoisotopic mass
- 185.0104375
Names & identifiers
- Preferred name
- 2-Chloro-N-hydroxyadenine
- IUPAC
- N-(2-chloro-7H-purin-6-yl)hydroxylamine
Names & synonyms
2-Chloro-N-hydroxyadenine19152-67-1Adenine, 2-chloro-N-hydroxy-2-chloro-n-hydroxy-7h-purin-6-amineN-(2-chloro-7H-purin-6-yl)hydroxylamineSCHEMBL28726405DTXSID40172679NSC529842NSC 529842NSC-529842DS-004019
Database identifiers
- CAS
19152-67-1- PubChem CID
- 101515
- DTXSID
DTXSID40172679
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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