Ethyl 5-Cyanobenzofuran-2-carboxylate - CAS 84102-76-1
Catalog: |
BB037128 |
Product Name: |
Ethyl 5-Cyanobenzofuran-2-carboxylate |
CAS: |
84102-76-1 |
Synonyms: |
5-cyano-2-benzofurancarboxylic acid ethyl ester; ethyl 5-cyano-1-benzofuran-2-carboxylate |
IUPAC Name: | ethyl 5-cyano-1-benzofuran-2-carboxylate |
Description: | Ethyl 5-Cyanobenzofuran-2-carboxylate (CAS# 84102-76-1 ) is a useful research chemical. |
Molecular Weight: | 215.20 |
Molecular Formula: | C12H9NO3 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(O1)C=CC(=C2)C#N |
InChI: | InChI=1S/C12H9NO3/c1-2-15-12(14)11-6-9-5-8(7-13)3-4-10(9)16-11/h3-6H,2H2,1H3 |
InChI Key: | VAXDVSUPXNACBJ-UHFFFAOYSA-N |
LogP: | 2.48118 |
Publication Number | Title | Priority Date |
EP-0918768-A1 | Aromatic amidine derivatives useful as selective thrombin inhibitors | 19960531 |
EP-0918768-B1 | Aromatic amidine derivatives useful as selective thrombin inhibitors | 19960531 |
JP-2000504030-A | Aromatic amidine derivatives useful as selective thrombin inhibitors | 19960531 |
KR-100469028-B1 | Aromatic amidine derivatives useful as selective thrombin inhibitors | 19960531 |
US-6201006-B1 | Aromatic amidine derivatives useful as selective thrombin inhibitors | 19960531 |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.058243149 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.058243149 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 63.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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