Methyl (E)-3-(4-Chloro-3-nitrophenyl)acrylate - CAS 877065-30-0
Catalog: |
BB038605 |
Product Name: |
Methyl (E)-3-(4-Chloro-3-nitrophenyl)acrylate |
CAS: |
877065-30-0 |
Synonyms: |
(E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid methyl ester; methyl (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate |
IUPAC Name: | methyl (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate |
Description: | Methyl (E)-3-(4-Chloro-3-nitrophenyl)acrylate (CAS# 877065-30-0) is a useful research chemical. |
Molecular Weight: | 241.63 |
Molecular Formula: | C10H8ClNO4 |
Canonical SMILES: | COC(=O)C=CC1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C10H8ClNO4/c1-16-10(13)5-3-7-2-4-8(11)9(6-7)12(14)15/h2-6H,1H3/b5-3+ |
InChI Key: | HQVWYUZVGLAMBS-HWKANZROSA-N |
LogP: | 2.95760 |
Publication Number | Title | Priority Date |
AU-2013360866-A1 | New cyclohexyl and quinuclidinyl carbamate derivatives having beta2 adrenergic agonist and M3 muscarinic antagonist activity | 20121218 |
CA-2892931-A1 | Cyclohexyl and quinuclidinyl carbamate derivatives having ss2 adrenergic agonist and m3 muscarinic antagonist activities | 20121218 |
EP-2934594-A1 | New cyclohexyl and quinuclidinyl carbamate derivatives having beta2 adrenergic agonist and m3 muscarinic antagonist activity | 20121218 |
EP-2934594-B1 | Cyclohexyl and quinuclidinyl carbamate derivatives having beta2 adrenergic agonist and m3 muscarinic antagonist activities . | 20121218 |
JP-2016505582-A | Novel cyclohexyl and quinuclidinyl carbamate derivatives having β2 adrenergic agonist activity and M3 muscarinic antagonist activity | 20121218 |
Complexity: | 300 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 241.0141854 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 241.0141854 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 72.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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