Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate - CAS 55942-41-1
Catalog: |
BB029222 |
Product Name: |
Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate |
CAS: |
55942-41-1 |
Synonyms: |
ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate |
IUPAC Name: | ethyl 5-(trifluoromethyl)-1H-imidazole-4-carboxylate |
Description: | Ethyl 4-(trifluoromethyl)-1H-imidazole-5-carboxylate (CAS# 55942-41-1) is a useful research chemical. |
Molecular Weight: | 208.14 |
Molecular Formula: | C7H7F3N2O2 |
Canonical SMILES: | CCOC(=O)C1=C(NC=N1)C(F)(F)F |
InChI: | InChI=1S/C7H7F3N2O2/c1-2-14-6(13)4-5(7(8,9)10)12-3-11-4/h3H,2H2,1H3,(H,11,12) |
InChI Key: | GKUCPVKNHSQTEO-UHFFFAOYSA-N |
MDL: | MFCD12025856 |
LogP: | 1.60520 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109761906-A | A kind of substituted imidazole formate ester derivative and application thereof | 20190302 |
KR-102082695-B1 | Imidazolium-based ionic liquid compound, manufacturing method for the same, and method for separating carbon dioxide using the same | 20180629 |
KR-20200002378-A | Imidazolium-based ionic liquid compound, manufacturing method for the same, and method for separating carbon dioxide using the same | 20180629 |
CN-109824656-A | Polysubstituted imidazole formic acid ester derivative and application thereof | 20180130 |
WO-2019149228-A1 | Substituted imidazole formate derivative and use thereof | 20180130 |
Complexity: | 220 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.04596196 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.04596196 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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