Basic information
- CAS
329049-92-5- Standard SMILES
O=C(O)C1CC=CCC1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1- InChIKey
VEDGJEPLCUKFLD-UHFFFAOYSA-N- Molecular formula
- C14H13FN2O5
- Average molar mass
- 308.26 g/mol
- Monoisotopic mass
- 308.08084968
Names & identifiers
- Preferred name
- 6-[(4-Fluoro-3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
- IUPAC
- 6-[(4-fluoro-3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Names & synonyms
329049-92-56-[(4-fluoro-3-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid6-((4-Fluoro-3-nitrophenyl)carbamoyl)cyclohex-3-ene-1-carboxylic acid3-cyclohexene-1-carboxylic acid, 6-[[(4-fluoro-3-nitrophenyl)amino]carbonyl]-DTXSID301142779ALBB-036057STK430118AKOS003250944AKOS022168104ST50914103H489196-[N-(4-fluoro-3-nitrophenyl)carbamoyl]cyclohex-3-enecarboxylic acid
Show more names
6-[[(4-Fluoro-3-nitrophenyl)amino]carbonyl]-3-cyclohexene-1-carboxylic acid6-[[(4-FLUORO-3-NITROPHENYL)AMINO]CARBONYL]CYCLOHEX-3-ENE-1-CARBOXYLIC ACID
Database identifiers
- CAS
329049-92-5- PubChem CID
- 5099622
- DTXSID
DTXSID301142779
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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