Methyl 4-fluorocinnamate, predominantly trans - CAS 96426-60-7
Catalog: |
BB041969 |
Product Name: |
Methyl 4-fluorocinnamate, predominantly trans |
CAS: |
96426-60-7 |
Synonyms: |
methyl (E)-3-(4-fluorophenyl)prop-2-enoate |
IUPAC Name: | methyl (E)-3-(4-fluorophenyl)prop-2-enoate |
Description: | Methyl 4-fluorocinnamate, predominantly trans (CAS# 96426-60-7) is a useful research chemical. |
Molecular Weight: | 180.18 |
Molecular Formula: | C10H9FO2 |
Canonical SMILES: | COC(=O)C=CC1=CC=C(C=C1)F |
InChI: | InChI=1S/C10H9FO2/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7H,1H3/b7-4+ |
InChI Key: | HSNCAEKOZRUMTB-QPJJXVBHSA-N |
Boiling Point: | 251.7 °C at 760 mmHg |
Density: | 1.165 g/cm3 |
Appearance: | White to beige powder or crystalline powder |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD00297011 |
LogP: | 2.01190 |
Publication Number | Title | Priority Date |
WO-2021179049-A1 | Treatment of disorders associated with oxidative stress and compounds for same | 20200313 |
US-2021323942-A1 | Heterocyclic compounds for modulating nr2f6 | 20200225 |
WO-2021170658-A1 | Heterocyclic compounds for modulating nr2f6 | 20200225 |
CN-108864374-B | Preparation method of ether high-water-retention polycarboxylate superplasticizer | 20180601 |
CN-108864375-B | Preparation method of water-retention and mud-resistance type polycarboxylate superplasticizer | 20180601 |
PMID | Publication Date | Title | Journal |
21237663 | 20110201 | Identification of curcumin derivatives as human glyoxalase I inhibitors: A combination of biological evaluation, molecular docking, 3D-QSAR and molecular dynamics simulation studies | Bioorganic & medicinal chemistry |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 180.05865769 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.05865769 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
-
Catalog: BB007044
(1,10-Phenanthroline)(trifluoromethyl)copper(I)
Detail
-
Catalog: BB022403
(1,1,2,2-Tetrafluoroethoxy)benzene
Detail
-
Catalog: BB026470
(2,4-Difluorophenylethynyl)trimethylsilane
Detail
-
Catalog: BB042560
(2-(Trifluoromethyl)pyrimidin-5-yl)boronic acid
Detail
-
Catalog: BB038186
(2,2,3,3-Tetrafluoropropoxy)acetic acid
Detail
-
Catalog: BB029630
(2,3-Difluorophenyl)thiourea
Detail
-
Catalog: BB022772
(2,8-Bis-trifluoromethyl-quinolin-4-yl)-pyridin-2-yl-methanone
Detail
-
Catalog: BB016307
(2,5-Difluorophenyl)thiourea
Detail
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Fluorinated Building Blocks
Other Pyrimidines
Customers Also Viewed
-
[92-06-8]
m-Terphenyl
-
[6793-92-6]
4-Benzyloxybromobenzene
-
[711-38-6]
2,2,2-Trifluoro-4'-methoxyacetophenone
-
[38471-47-5]
2-(undecoxy)ethanol
-
[1388152-02-0]
1,2-Cyclopentanediol, 3-amino-5-[(phosphonooxy)methy]-, ammonium salt (1:2), (1R,2S,3R,5R)-
-
[91-04-3]
2,6-Bis(hydroxymethyl)-p-cresol
INDUSTRY LEADERS TRUST OUR PRODUCTS