4-(4-Acetyl-2-methoxy-5-nitrophenoxy)-butanoic Acid Ethyl Ester - CAS 1031702-80-3
Catalog: |
BB075443 |
Product Name: |
4-(4-Acetyl-2-methoxy-5-nitrophenoxy)-butanoic Acid Ethyl Ester |
CAS: |
1031702-80-3 |
Synonyms: |
4-(4-Acetyl-2-methoxy-5-nitrophenoxy)-butanoic Acid Ethyl Ester; ethyl 4-(4-acetyl-2-methoxy-5-nitrophenoxy)butanoate |
IUPAC Name: | ethyl 4-(4-acetyl-2-methoxy-5-nitrophenoxy)butanoate |
Description: | A photolabile linker for the solid-phase synthesis of 4-substituted 1,2,3-triazoles. |
Molecular Weight: | 325.31 |
Molecular Formula: | C15H19NO7 |
Canonical SMILES: | CCOC(=O)CCCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)C)OC |
InChI: | InChI=1S/C15H19NO7/c1-4-22-15(18)6-5-7-23-14-9-12(16(19)20)11(10(2)17)8-13(14)21-3/h8-9H,4-7H2,1-3H3 |
InChI Key: | QFBXDFLAZPHMAN-UHFFFAOYSA-N |
Melting Point: | 117-120°C |
Solubility: | Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Yellow Solid |
Storage: | 4°C |
References: | Qvortrup, K. et al.; Chem. Commun. 47, 3278 (2011). |
Complexity: | 421 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.11615195 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 325.11615195 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 108Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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