Coumarin 153
6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one
| Molecular Formula | C16H14F3NO2 |
|---|---|
| Molecular Weight | 309.28 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 29.5 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 309.09766 |
| Heavy Atoms | 22 |
| Complexity | 516.0 |
Chemical Identifiers
| CAS Number | 53518-18-6 |
|---|---|
| SMILES | C1CC2=CC3=C(C4=C2N(C1)CCC4)OC(=O)C=C3C(F)(F)F |
| InChIKey | VSSSHNJONFTXHS-UHFFFAOYSA-N |
📖 Product Overview
Coumarin 153 (CAS: 53518-18-6) is a chemical compound with molecular formula C16H14F3NO2 and molecular weight 309.28 g/mol. Its IUPAC systematic name is 6-(trifluoromethyl)-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-4-one.
VSSSHNJONFTXHS-UHFFFAOYSA-N.
SMILES: C1CC2=CC3=C(C4=C2N(C1)CCC4)OC(=O)C=C3C(F)(F)F.
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