AC1NT3EL
2-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-nitrobenzamide
Also Known As: Oprea1_761519|2-CHLORO-N-[3-(5,6-DIMETHYL-1,3-BENZOXAZOL-2-YL)-4-HYDROXYPHENYL]-5-NITROBENZAMIDE|AB00099070-01|2-Chloro-N-[(3Z)-3-(5,6-dimethyl-1,3-benzoxazol-2(3H)-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-5-nitrobenzamide|2-chloro-N-[(3Z)-3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-5-nitrobenzamide|2-chloro-N-[3-(5,6-dimethyl-3H-1,3-benzoxazol-2-ylidene)-4-oxocyclohexa-1,5-dien-1-yl]-5-nitrobenzamide
| Molecular Formula | C22H16ClN3O5 |
|---|---|
| Molecular Weight | 437.07785 g/mol |
| LogP | 5.63114 |
| Topological Polar Surface Area | 118.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.07785 |
| Monoisotopic Mass | 437.07785 |
| Heavy Atoms | 31 |
| Complexity | 1324.018 |
Chemical Identifiers
| CAS Number | 5846-41-3 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)OC(=N2)C3=C(C=CC(=C3)NC(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl)O |
Product Overview
AC1NT3EL (CAS 5846-41-3), with molecular formula C22H16ClN3O5 and molecular weight 437.07785 g/mol. IUPAC: 2-chloro-N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)-4-hydroxyphenyl]-5-nitrobenzamide.
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