Basic information
- CAS
52101-40-3- Standard SMILES
O=C(O)c1oc([N+](=O)[O-])c(-c2ccccc2)c1-c1ccccc1- InChIKey
HZKQRIMQLFWOGN-UHFFFAOYSA-N- Molecular formula
- C17H11NO5
- Average molar mass
- 309.27 g/mol
- Monoisotopic mass
- 309.06372245
Names & identifiers
- Preferred name
- 3,4-Diphenyl-5-nitro-2-furoic acid
- IUPAC
- 5-nitro-3,4-diphenylfuran-2-carboxylic acid
- English name
- 3,4-Diphenyl-5-nitro-2-furoicacid
- Molecular formula
- C17H11NO5
- Molecular weight
- 309.27
Names & synonyms
3,4-Diphenyl-5-nitro-2-furoic acid52101-40-35-nitro-3,4-diphenylfuran-2-carboxylic acid2-FURANCARBOXYLIC ACID, 3,4-DIPHENYL-5-NITRO-CCRIS 2154BRN 55953626FYF5U2HXDDTXSID70200111DB-2407725-Nitro-3,4-diphenyl-2-furancarboxylic acid2-Furancarboxylic acid, 5-nitro-3,4-diphenyl-3,4-Diphenyl-5-nitro-2-furoicacid
Database identifiers
- CAS
52101-40-3- PubChem CID
- 40232
- DTXSID
DTXSID70200111- UNII
- 6FYF5U2HXD
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 437
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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