4,6-Difluoroindole - CAS 199526-97-1
Catalog: |
BB015406 |
Product Name: |
4,6-Difluoroindole |
CAS: |
199526-97-1 |
Synonyms: |
4,6-difluoro-1H-indole; 4,6-difluoro-1H-indole |
IUPAC Name: | 4,6-difluoro-1H-indole |
Description: | 4,6-Difluoroindole (CAS# 199526-97-1) is a useful research chemical. |
Molecular Weight: | 153.13 |
Molecular Formula: | C8H5F2N |
Canonical SMILES: | C1=CNC2=CC(=CC(=C21)F)F |
InChI: | InChI=1S/C8H5F2N/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4,11H |
InChI Key: | MHICCULQVCEWFH-UHFFFAOYSA-N |
Boiling Point: | 253.2 °C at 760 mmHg |
Density: | 1.388 g/cm3 |
Appearance: | Liquid |
MDL: | MFCD01075213 |
LogP: | 2.44610 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
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Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.03900549 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.03900549 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 15.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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