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

Technical Data

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Computed Properties

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

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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

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