Basic information
- CAS
136087-84-8- Standard SMILES
O=C1NC(=O)[C@@]2(C[C@@H](C(=O)O)Oc3ccc(F)cc32)N1- InChIKey
XEEMHUAVPICJLP-UFBFGSQYSA-N- Molecular formula
- C12H9FN2O5
- Average molar mass
- 280.21 g/mol
- Monoisotopic mass
- 280.04954961
Names & identifiers
- Preferred name
- (2S,4S)-6-Fluoro-2,3-dihydro-2',5'-dioxospiro(4H-1-benzopyran-4,4'-imidazolidine)-2-carboxylic acid
- IUPAC
- (2S,4S)-6-fluoro-2',5'-dioxospiro[2,3-dihydrochromene-4,4'-imidazolidine]-2-carboxylic acid
Names & synonyms
136087-84-8(2S,4S)-6-Fluoro-2,3-dihydro-2',5'-dioxospiro(4H-1-benzopyran-4,4'-imidazolidine)-2-carboxylic acid(2S,4S)-6-Fluoro-2,3-dihydro-2',5'-dioxospiro[4H-1-benzopyran-4,4'-imidazolidine]-2-carboxylic acidRefChem:207168(2S,4S)-6-Fluoro-2',5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxylic acidSCHEMBL8311471DTXSID70431645XEEMHUAVPICJLP-UFBFGSQYSA-N(2S,4S)-6-Fluoro-2',5'-dioxospiro[chroman-4,4'-imidazolidine]-2-carboxylicacid(2S,4S)-6-fluoro-2',5'-dioxospiro[chromane-4,4'-imidazolidine]-2-carboxylic acid(2S,4S)-6-Fluoro-2',5'-dioxo-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2-carboxylic acid
Database identifiers
- CAS
136087-84-8- PubChem CID
- 9838583
- DTXSID
DTXSID70431645- Nikkaji
- J572.775H
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 484
Related reactions
2 records
Compound notes
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