Ethyl 6-(Trifluoromethyl)indole-2-carboxylate - CAS 327-21-9
Catalog: |
BB021382 |
Product Name: |
Ethyl 6-(Trifluoromethyl)indole-2-carboxylate |
CAS: |
327-21-9 |
Synonyms: |
6-(trifluoromethyl)-1H-indole-2-carboxylic acid ethyl ester; ethyl 6-(trifluoromethyl)-1H-indole-2-carboxylate |
IUPAC Name: | ethyl 6-(trifluoromethyl)-1H-indole-2-carboxylate |
Description: | Ethyl 6-(Trifluoromethyl)indole-2-carboxylate (CAS# 327-21-9) is a useful research chemical. |
Molecular Weight: | 257.21 |
Molecular Formula: | C12H10F3NO2 |
Canonical SMILES: | CCOC(=O)C1=CC2=C(N1)C=C(C=C2)C(F)(F)F |
InChI: | InChI=1S/C12H10F3NO2/c1-2-18-11(17)10-5-7-3-4-8(12(13,14)15)6-9(7)16-10/h3-6,16H,2H2,1H3 |
InChI Key: | MIBFONNBTQRYGN-UHFFFAOYSA-N |
LogP: | 3.36340 |
Publication Number | Title | Priority Date |
KR-101741956-B1 | Novel compound, process for the preparation thereof and pharmaceutical composition comprising the same | 20160726 |
WO-2018021762-A1 | Novel compound, preparation method therefor, and pharmaceutical composition containing same | 20160726 |
CA-2761639-A1 | Aryl substituted carboxamide derivatives as calcium or sodium channel blockers | 20090529 |
CA-2761639-C | Aryl substituted carboxamide derivatives as calcium or sodium channel blockers | 20090529 |
EP-2435407-A1 | Aryl substituted carboxamide derivatives as calcium or sodium channel blockers | 20090529 |
Complexity: | 319 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 257.06636305 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 257.06636305 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 42.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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