(2E)-3-(2,6-Difluoro-4-methoxyphenyl)-2-propenoic Acid Ethyl Ester - CAS 858114-78-0
Catalog: |
BB067813 |
Product Name: |
(2E)-3-(2,6-Difluoro-4-methoxyphenyl)-2-propenoic Acid Ethyl Ester |
CAS: |
858114-78-0 |
Synonyms: |
(2E)-3-(2,6-Difluoro-4-methoxyphenyl)-2-propenoic Acid Ethyl Ester; ethyl(2E)-3-(2,6-difluoro-4-methoxyphenyl)acrylate; ethyl (E)-3-(2,6-difluoro-4-methoxyphenyl)prop-2-enoate; ethyl (2E)-3-(2,6-difluoro-4-methoxyphenyl)acrylate; 3-(2,6-Difluoro-4-methoxyphenyl)acrylic acid ethyl ester |
IUPAC Name: | ethyl (E)-3-(2,6-difluoro-4-methoxyphenyl)prop-2-enoate |
Description: | (2E)-3-(2,6-Difluoro-4-methoxyphenyl)-2-propenoic Acid Ethyl Ester, is an intermediate in the synthesis of 2,6-Difluoro-4-hydroxybenzenepropanoic Acid Ethyl Ester (D446215). |
Molecular Weight: | 242.22 |
Molecular Formula: | C12H12F2O3 |
Canonical SMILES: | CCOC(=O)C=CC1=C(C=C(C=C1F)OC)F |
InChI: | InChI=1S/C12H12F2O3/c1-3-17-12(15)5-4-9-10(13)6-8(16-2)7-11(9)14/h4-7H,3H2,1-2H3/b5-4+ |
InChI Key: | KNWHUTBSXIHTJQ-SNAWJCMRSA-N |
References: | Sasaki, Sh., et al. J. Med. Chem., 54, 1365 (2011). |
Complexity: | 269 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 242.07545056 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.07545056 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 35.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Other Building Blocks
-
[6872-53-3]
Norscopine
-
17-epi-Desogestrel Methanesulfonate
-
17-epi-Desogestrel Nitrate
-
[1330180-78-3]
4-Hydroxy-3-methyl-2-picolinic Acid 1-Oxide
-
[24177-07-9]
(2R,5S,10aS,10bS)-Octahydro-10b-hydroxy-5-isobutyl-2-isopropyl-3,6-dioxo-8H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboxylic Acid
-
(2R,5S,10aS,10bS)-10b-Hydroxy-5-isopropyl-2-methyl-3,6-dioxooctahydro-2H-oxazolo[3,2-a]pyrrolo[2,1-c]pyrazine-2-carboxylic Acid
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS