4-Bromo-6-(trifluoromethyl)-1H-indole - CAS 1000342-93-7
Catalog: |
BB000022 |
Product Name: |
4-Bromo-6-(trifluoromethyl)-1H-indole |
CAS: |
1000342-93-7 |
Synonyms: |
4-bromo-6-(trifluoromethyl)-1H-indole; 4-bromo-6-(trifluoromethyl)-1H-indole |
IUPAC Name: | 4-bromo-6-(trifluoromethyl)-1H-indole |
Description: | 4-Bromo-6-(trifluoromethyl)-1H-indole (CAS# 1000342-93-7) is a useful research chemical. |
Molecular Weight: | 264.04 |
Molecular Formula: | C9H5BrF3N |
Canonical SMILES: | C1=CNC2=C1C(=CC(=C2)C(F)(F)F)Br |
InChI: | InChI=1S/C9H5BrF3N/c10-7-3-5(9(11,12)13)4-8-6(7)1-2-14-8/h1-4,14H |
InChI Key: | GVQHXKQOACYLJU-UHFFFAOYSA-N |
Storage: | Sealed in dry, 2-8 °C |
LogP: | 3.94920 |
Publication Number | Title | Priority Date |
EP-2982670-A1 | Heterocyclic compound | 20130404 |
EP-2982670-B1 | Heterocyclic compound | 20130404 |
JP-6272833-B2 | Heterocyclic compounds | 20130404 |
JP-WO2014163162-A1 | Heterocyclic compounds | 20130404 |
US-2016052897-A1 | Heterocyclic compound | 20130404 |
Complexity: | 219 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.95575 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.95575 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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