Basic information
- Standard SMILES
Nc1nnc(-c2ccccc2[N+](=O)[O-])o1- InChIKey
JVORYYXVRXHXMK-UHFFFAOYSA-N- Molecular formula
- C8H6N4O3
- Average molar mass
- 206.16 g/mol
- Monoisotopic mass
- 206.04399005
Names & identifiers
- Preferred name
- 5-(2-Nitrophenyl)-1,3,4-oxadiazol-2-amine
- IUPAC
- 5-(2-nitrophenyl)-1,3,4-oxadiazol-2-amine
- English name
- 1,3,4-Oxadiazol-2-amine, 5-(2-nitrophenyl)-
- Molecular formula
- C8H6N4O3
- Molecular weight
- 206.16
Names & synonyms
5-(2-nitrophenyl)-1,3,4-oxadiazol-2-amine109060-71-1MFCD000996181,3,4-Oxadiazol-2-amine, 5-(2-nitrophenyl)-5-(2-Nitro-phenyl)-[1,3,4]oxadiazol-2-ylamine5-(2-nitrophenyl)-1,3,4-oxadiazole-2-ylamine5-(2-nitrophenyl)-[1,3,4]oxadiazol-2-ylamineMLS000729431SCHEMBL4403617CHEMBL1471805DTXSID40351866JVORYYXVRXHXMK-UHFFFAOYSA-N
Show more names
HMS2719H13SBB013359STK782816AKOS000155745SMR000307709ST4121998CS-0325287F317361
Database identifiers
- CAS
109060-71-1- PubChem CID
- 712042
- DTXSID
DTXSID40351866- ChEMBL
CHEMBL1471805
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 245
Chemistry & industry
Suppliers2 total
四川铂友生物科技有限公司(原四川佰朋)028-65791793 18140026355 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Related reactions
3 records
Linked notes
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