Ethyl 2-(4-Methoxy-2-nitrophenyl)acetate - CAS 108274-39-1
Catalog: |
BB002219 |
Product Name: |
Ethyl 2-(4-Methoxy-2-nitrophenyl)acetate |
CAS: |
108274-39-1 |
Synonyms: |
2-(4-methoxy-2-nitrophenyl)acetic acid ethyl ester; ethyl 2-(4-methoxy-2-nitrophenyl)acetate |
IUPAC Name: | ethyl 2-(4-methoxy-2-nitrophenyl)acetate |
Description: | Ethyl 2-(4-Methoxy-2-nitrophenyl)acetate (CAS# 108274-39-1) is a useful research chemical. |
Molecular Weight: | 239.22 |
Molecular Formula: | C11H13NO5 |
Canonical SMILES: | CCOC(=O)CC1=C(C=C(C=C1)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C11H13NO5/c1-3-17-11(13)6-8-4-5-9(16-2)7-10(8)12(14)15/h4-5,7H,3,6H2,1-2H3 |
InChI Key: | NLGHEKVWFIVDMH-UHFFFAOYSA-N |
LogP: | 2.23220 |
Publication Number | Title | Priority Date |
US-2014205537-A1 | Lrrk2 inhibitors | 20110624 |
WO-2012178015-A2 | Lrrk2 inhibitors | 20110624 |
Complexity: | 276 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.07937252 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.07937252 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 81.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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