Methyl 4-(acetylamino)-2-methoxy-5-nitrobenzoate - CAS 4093-41-8
Catalog: |
BB024727 |
Product Name: |
Methyl 4-(acetylamino)-2-methoxy-5-nitrobenzoate |
CAS: |
4093-41-8 |
Synonyms: |
methyl 4-acetamido-2-methoxy-5-nitrobenzoate |
IUPAC Name: | methyl 4-acetamido-2-methoxy-5-nitrobenzoate |
Description: | Methyl 4-(acetylamino)-2-methoxy-5-nitrobenzoate (CAS# 4093-41-8) is a useful research chemical compound. |
Molecular Weight: | 268.22 |
Molecular Formula: | C11H12N2O6 |
Canonical SMILES: | CC(=O)NC1=C(C=C(C(=C1)OC)C(=O)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C11H12N2O6/c1-6(14)12-8-5-10(18-2)7(11(15)19-3)4-9(8)13(16)17/h4-5H,1-3H3,(H,12,14) |
InChI Key: | AGSSDWHUSPSVFS-UHFFFAOYSA-N |
Boiling Point: | 506.8 ℃ at 760 mmHg |
Melting Point: | 171-173 ℃ |
Purity: | 95 % |
Density: | 1.366 g/cm3 |
Appearance: | White to tan powder or crystals |
MDL: | MFCD03094023 |
LogP: | 1.94460 |
Publication Number | Title | Priority Date |
CA-3051419-A1 | Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof | 20180817 |
US-2020055871-A1 | Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof | 20180817 |
WO-2020036574-A1 | Activators of the retinoic acid inducible gene "rig-i' pathway and methods of use thereof | 20180817 |
WO-2020036812-A1 | Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof | 20180817 |
TW-202035426-A | Activators of the retinoic acid inducible gene "rig-i" pathway and methods of use thereof | 20180817 |
Complexity: | 367 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.06953611 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.06953611 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 110 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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