5-Bromo-6-fluoroindole - CAS 434960-42-6
Catalog: |
BB025420 |
Product Name: |
5-Bromo-6-fluoroindole |
CAS: |
434960-42-6 |
Synonyms: |
5-bromo-6-fluoro-1H-indole; 5-bromo-6-fluoro-1H-indole |
IUPAC Name: | 5-bromo-6-fluoro-1H-indole |
Description: | 5-Bromo-6-fluoroindole (CAS# 434960-42-6 ) is a useful research chemical. |
Molecular Weight: | 214.03 |
Molecular Formula: | C8H5BrFN |
Canonical SMILES: | C1=CNC2=CC(=C(C=C21)Br)F |
InChI: | InChI=1S/C8H5BrFN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H |
InChI Key: | HAKIMTKXOCVWRH-UHFFFAOYSA-N |
MDL: | MFCD11848565 |
LogP: | 3.06950 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2018276611-A1 | Method for predicting therapeutic effect of LSD1 inhibitor based on expression of INSM1 | 20170531 |
EP-3633380-A1 | Method for predicting therapeutic effect of lsd1 inhibitor based on expression of insm1 | 20170531 |
JP-WO2018221555-A1 | Method for predicting therapeutic effect of LSD1 inhibitor based on expression of INSM1 | 20170531 |
KR-20200007975-A | Methods of Predicting Therapeutic Effects of LSD1 Inhibitors Based on Expression of INSM1 | 20170531 |
TW-201907162-A | Prediction method for therapeutic effect of LSD1 inhibitor based on INSM1 performance | 20170531 |
Complexity: | 153 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 212.95894 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 212.95894 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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