2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3132-0311 |
| Compound Name: | 2-amino-4-(2-chloro-5-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 345.74 |
| Molecular Formula: | C16 H12 Cl N3 O4 |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2cc(ccc2[Cl])[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.567 |
| logD: | 2.567 |
| logSw: | -3.4113 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.984 |
| InChI Key: | NCROOISRKDCTFQ-CQSZACIVSA-N |