Basic information
- CAS
944907-18-0- Standard SMILES
O=C(O)c1nnc(-c2cccc(Br)c2)o1- InChIKey
WYIYMPKFUVVWEU-UHFFFAOYSA-N- Molecular formula
- C9H5BrN2O3
- Average molar mass
- 269.05 g/mol
- Monoisotopic mass
- 267.94835
Names & identifiers
- Preferred name
- 5-(3-Bromophenyl)-1,3,4-oxadiazole-2-carboxylic acid
- IUPAC
- 5-(3-bromophenyl)-1,3,4-oxadiazole-2-carboxylic acid
Names & synonyms
5-(3-BROMOPHENYL)-1,3,4-OXADIAZOLE-2-CARBOXYLIC ACID944907-18-0DTXSID101220329AB57603
Database identifiers
- CAS
944907-18-0- PubChem CID
- 39367487
- DTXSID
DTXSID101220329
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 76.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 252
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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