AC1L4HC2
(1-methoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
Also Known As: 1-methoxycarbonylethyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-benzoate|(1-methoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate|Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-methoxy-1-methyl-2-oxoethyl ester|Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-,2-methoxy-1-methyl-2-oxoethyl ester|1-Methoxy-1-oxopropan-2-yl 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoate|Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-methoxy-1-methyl-2-oxoethyl ester|1-methoxy-1-oxopropan-2-yl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
| Molecular Formula | C18H13ClF3NO7 |
|---|---|
| Molecular Weight | 447.03326 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 447.03326 |
| Monoisotopic Mass | 447.03326 |
| Heavy Atoms | 30 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 77509-33-2 |
|---|---|
| SMILES | CC(C(=O)OC)OC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
| InChIKey | ZHQUGAWGYLVEMF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
AC1L4HC2 (CAS 77509-33-2), with molecular formula C18H13ClF3NO7 and molecular weight 447.03326 g/mol. IUPAC: (1-methoxy-1-oxopropan-2-yl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate.
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