4-(2-Iodoethyl)benzotrifluoride - CAS 178685-14-8
Catalog: |
BB013496 |
Product Name: |
4-(2-Iodoethyl)benzotrifluoride |
CAS: |
178685-14-8 |
Synonyms: |
1-(2-iodoethyl)-4-(trifluoromethyl)benzene; 1-(2-iodoethyl)-4-(trifluoromethyl)benzene |
IUPAC Name: | 1-(2-iodoethyl)-4-(trifluoromethyl)benzene |
Description: | 4-(2-Iodoethyl)benzotrifluoride (CAS# 178685-14-8 ) is a useful research chemical. |
Molecular Weight: | 300.06 |
Molecular Formula: | C9H8F3I |
Canonical SMILES: | C1=CC(=CC=C1CCI)C(F)(F)F |
InChI: | InChI=1S/C9H8F3I/c10-9(11,12)8-3-1-7(2-4-8)5-6-13/h1-4H,5-6H2 |
InChI Key: | SRZXEFNIPPUVHS-UHFFFAOYSA-N |
LogP: | 3.68290 |
Publication Number | Title | Priority Date |
CA-2694748-A1 | Sodium channel inhibitors | 20070713 |
EP-2175728-A1 | Sodium channel inhibitors | 20070713 |
EP-2175728-B1 | Sodium channel inhibitors | 20070713 |
ES-2523196-T3 | Sodium Channel Inhibitors | 20070713 |
JP-2010533651-A | Sodium channel inhibitor | 20070713 |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.96228 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 299.96228 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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