Basic information
- CAS
1177601-98-7- Standard SMILES
CN1CC(c2ccc(Cl)c([N+](=O)[O-])c2)C2(COc3ccccc3C2=O)C12C(=O)Nc1ccccc12- InChIKey
RROBHOHCAMWQME-UHFFFAOYSA-N- Molecular formula
- C26H20ClN3O5
- Average molar mass
- 489.9 g/mol
Names & identifiers
- Preferred name
- 4'-(4-Chloro-3-nitrophenyl)-1'-methyl-1'',2,2'',4-tetrahydrodispiro[1-benzopyran-3,3'-pyrrolidine-2',3''-indole]-2'',4-dione
- English name
- Chroman-4'-one-3'-spiro-3-N-methyl-4-(4-chloro-3-nitrophenyl)-pyrrolidine-2-spiro-3''-oxindole
- Molecular formula
- C26H20ClN3O5
- Molecular weight
- 489.91
Names & synonyms
1177601-98-74'-(4-chloro-3-nitrophenyl)-1'-methyl-1'',2,2'',4-tetrahydrodispiro[1-benzopyran-3,3'-pyrrolidine-2',3''-indole]-2'',4-dioneAKOS005086886chroman-4'-one-3'-spiro-3-N-methyl-4-(4-chloro-3-nitrophenyl)-pyrrolidine-2-spiro-3"-oxindole2W-06104'-(4-Chloro-3-nitrophenyl)-1'-methyldispiro[chromane-3,3'-pyrrolidine-2',3''-indoline]-2'',4-dioneChroman-4'-one-3'-spiro-3-N-methyl-4-(4-chloro-3-nitrophenyl)-pyrrolidine-2-spiro-3-oxindoleChroman-4'-one-3'-spiro-3-N-methyl-4-(4-chloro-3-nitrophenyl)-pyrrolidine-2-spiro-3''-oxindole
Database identifiers
- CAS
1177601-98-7
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 912
Physicochemical properties
- Boiling point
- 708.9 · 708.9±60.0 °C(Predicted)
- Density
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- pka
- 14.19 · 14.19±0.40(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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