Basic information
- CAS
908083-62-5- Standard SMILES
O=C(O)c1nc(NCc2nc3cc(Cl)ccc3o2)n[nH]1- InChIKey
QDXRBCABHIXDFB-UHFFFAOYSA-N- Molecular formula
- C11H8ClN5O3
- Average molar mass
- 293.66 g/mol
- Monoisotopic mass
- 293.0315668
Names & identifiers
- Preferred name
- 3-[(5-chloro-1,3-benzoxazol-2-yl)methylamino]-1H-1,2,4-triazole-5-carboxylic acid
- IUPAC
- 3-[(5-chloro-1,3-benzoxazol-2-yl)methylamino]-1H-1,2,4-triazole-5-carboxylic acid
Names & synonyms
NSC715272NSC-715272
Database identifiers
- CAS
908083-62-5- PubChem CID
- 401577
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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