2-Methoxy-5-(4-nitrophenyl)-1,3,4-oxadiazole
Basic information
- CAS
102925-87-1- Standard SMILES
COc1nnc(-c2ccc([N+](=O)[O-])cc2)o1- InChIKey
YKGDYDUGVHEJSG-UHFFFAOYSA-N- Molecular formula
- C9H7N3O4
- Average molar mass
- 221.17 g/mol
- Monoisotopic mass
- 221.04365571
Names & identifiers
- Preferred name
- 2-Methoxy-5-(4-nitrophenyl)-1,3,4-oxadiazole
- IUPAC
- 2-methoxy-5-(4-nitrophenyl)-1,3,4-oxadiazole
- English name
- 2-Methoxy-5-(4-nitrophenyl)-1,3,4-oxadiazole
- Molecular formula
- C9H7N3O4
- Molecular weight
- 221.17
Names & synonyms
2-Methoxy-5-(4-nitrophenyl)-1,3,4-oxadiazole102925-87-1DTXSID101455721,3,4-Oxadiazole, 2-methoxy-5-(4-nitrophenyl)-
Database identifiers
- CAS
102925-87-1- PubChem CID
- 145388
- DTXSID
DTXSID10145572
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 94 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 250
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Compound notes
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