Basic information
- CAS
30697-14-4- Standard SMILES
O=C(O)c1cc2cc([N+](=O)[O-])ccc2[se]1- InChIKey
UJSGXXAHTWMTGC-UHFFFAOYSA-N- Molecular formula
- C9H5NO4Se
- Average molar mass
- 270.11 g/mol
- Monoisotopic mass
- 270.93838
Names & identifiers
- Preferred name
- 5-Nitro-1-benzoselenophene-2-carboxylic acid
- IUPAC
- 5-nitro-1-benzoselenophene-2-carboxylic acid
Names & synonyms
5-nitro-1-benzoselenophene-2-carboxylic acid30697-14-4DTXSID40315807RefChem:304356DTXCID30266930NSC297544SCHEMBL14829073NSC-297544
Database identifiers
- CAS
30697-14-4- PubChem CID
- 326347
- DTXSID
DTXSID40315807
Properties
Computed structural properties
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 290
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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