Methyl (E)-3-[2-Amino-4-(trifluoromethyl)phenyl]acrylate - CAS 231296-89-2
Catalog: |
BB017934 |
Product Name: |
Methyl (E)-3-[2-Amino-4-(trifluoromethyl)phenyl]acrylate |
CAS: |
231296-89-2 |
Synonyms: |
(E)-3-[2-amino-4-(trifluoromethyl)phenyl]-2-propenoic acid methyl ester; methyl (E)-3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enoate |
IUPAC Name: | methyl (E)-3-[2-amino-4-(trifluoromethyl)phenyl]prop-2-enoate |
Description: | Methyl (E)-3-[2-Amino-4-(trifluoromethyl)phenyl]acrylate (CAS# 231296-89-2 ) is a useful research chemical. |
Molecular Weight: | 245.20 |
Molecular Formula: | C11H10F3NO2 |
Canonical SMILES: | COC(=O)C=CC1=C(C=C(C=C1)C(F)(F)F)N |
InChI: | InChI=1S/C11H10F3NO2/c1-17-10(16)5-3-7-2-4-8(6-9(7)15)11(12,13)14/h2-6H,15H2,1H3/b5-3+ |
InChI Key: | AKLLEXKUYCBJED-HWKANZROSA-N |
LogP: | 3.05500 |
Publication Number | Title | Priority Date |
AU-2012288493-A1 | Quinolinyl glucagon receptor modulators | 20110722 |
AU-2012288493-B2 | Quinolinyl glucagon receptor modulators | 20110722 |
CA-2841237-A1 | Quinolinyl glucagon receptor modulators | 20110722 |
CA-2841237-C | Quinolinyl glucagon receptor modulators | 20110722 |
CN-103732578-A | Quinolinyl glucagon receptor modulators | 20110722 |
Complexity: | 302 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 245.06636305 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.06636305 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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