4-chloro-N-(7H-purin-6-yl)benzamide
Basic information
- CAS
36383-87-6- Standard SMILES
O=C(Nc1ncnc2nc[nH]c12)c1ccc(Cl)cc1- InChIKey
RQPVNETZACSDHQ-UHFFFAOYSA-N- Molecular formula
- C12H8ClN5O
- Average molar mass
- 273.68 g/mol
- Monoisotopic mass
- 273.0417376
Names & identifiers
- Preferred name
- 4-chloro-N-(7H-purin-6-yl)benzamide
- IUPAC
- 4-chloro-N-(7H-purin-6-yl)benzamide
- English name
- 4-Chloro-N-(1H-purin-6-yl)benzamide
- Molecular formula
- C12H8ClN5O
- Molecular weight
- 273.68
Names & synonyms
4-chloro-N-(7H-purin-6-yl)benzamide36383-87-6DTXSID00343065RefChem:292048DTXCID60294145Benzamide, 4-chloro-N-1H-purin-6-yl-RQPVNETZACSDHQ-UHFFFAOYSA-N4-Chloro-N-(9H-purin-6-yl)benzamide #4-Chloro-N-(1H-purin-6-yl)benzamideBenzamide, 4-chloro-N-9H-purin-6-yl-
Database identifiers
- CAS
36383-87-6- PubChem CID
- 587150
- DTXSID
DTXSID00343065- Nikkaji
- J120.798I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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