AC1L4H3E
propan-2-yl 2-[4-[(7-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-methylamino]phenoxy]propanoate
Also Known As: Isopropyl (R)-2-(4-(7-chloro-1,2,4-benzotriazin-3-ylmethylamino)phenoxy)propionate 1-oxide|Propanoic acid, 2-(4-((7-chloro-1,2,4-benzotriazin-3-yl)methylamino)phenoxy)-, 1-methylethyl ester, N-oxide|propan-2-yl 2-[4-[(7-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-methylamino]phenoxy]propanoate|Propanoic acid, 2-[4-[(7-chloro-1-oxido-1,2,4-benzotriazin-3-yl)methylamino]phenoxy]-, 1-methylethyl ester
| Molecular Formula | C20H21ClN4O4 |
|---|---|
| Molecular Weight | 416.12512 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 90.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.12512 |
| Monoisotopic Mass | 416.12512 |
| Heavy Atoms | 29 |
| Complexity | 547.0 |
Chemical Identifiers
| CAS Number | 78711-79-2 |
|---|---|
| SMILES | CC(C)OC(=O)C(C)OC1=CC=C(C=C1)N(C)C2=NC3=C(C=C(C=C3)Cl)[N+](=N2)[O-] |
| InChIKey | QNKCTTHBEYSLMU-UHFFFAOYSA-N |
Product Overview
AC1L4H3E (CAS 78711-79-2), with molecular formula C20H21ClN4O4 and molecular weight 416.12512 g/mol. IUPAC: propan-2-yl 2-[4-[(7-chloro-1-oxido-1,2,4-benzotriazin-1-ium-3-yl)-methylamino]phenoxy]propanoate.
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