Ethyl 2-(4-Fluoro-3-nitrophenyl)acetate - CAS 858972-16-4
Catalog: |
BB037759 |
Product Name: |
Ethyl 2-(4-Fluoro-3-nitrophenyl)acetate |
CAS: |
858972-16-4 |
Synonyms: |
2-(4-fluoro-3-nitrophenyl)acetic acid ethyl ester; ethyl 2-(4-fluoro-3-nitrophenyl)acetate |
IUPAC Name: | ethyl 2-(4-fluoro-3-nitrophenyl)acetate |
Description: | Ethyl 2-(4-Fluoro-3-nitrophenyl)acetate (CAS# 858972-16-4) is a useful research chemical. |
Molecular Weight: | 227.19 |
Molecular Formula: | C10H10FNO4 |
Canonical SMILES: | CCOC(=O)CC1=CC(=C(C=C1)F)[N+](=O)[O-] |
InChI: | InChI=1S/C10H10FNO4/c1-2-16-10(13)6-7-3-4-8(11)9(5-7)12(14)15/h3-5H,2,6H2,1H3 |
InChI Key: | ASOMZDWTSDPDEU-UHFFFAOYSA-N |
LogP: | 2.36270 |
Publication Number | Title | Priority Date |
CN-110803992-A | Preparation method of 3-nitro-4-fluoroacetophenone acetate | 20191127 |
WO-2013134298-A1 | Raf inhibitor compounds | 20120307 |
AU-2013230425-A1 | Substituted heterocyclic acetamides as kappa opioid receptor (kor) agonists | 20120305 |
CA-2866299-C | Substituted heterocyclic acetamides as kappa opioid receptor (kor) agonists | 20120305 |
DK-2822928-T3 | Substituted heterocyclic acetamids as cape-opioid receptor (chor) agonists | 20120305 |
Complexity: | 266 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.05938596 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.05938596 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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