5,6-Difluoroindole - CAS 169674-01-5

Catalog:	BB012566
Product Name:	5,6-Difluoroindole
CAS:	169674-01-5
Synonyms:	5,6-difluoro-1H-indole; 5,6-difluoro-1H-indole

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Computed Properties

IUPAC Name:	5,6-difluoro-1H-indole
Description:	5,6-Difluoroindole (CAS# 169674-01-5) is a useful research chemical.
Molecular Weight:	153.13
Molecular Formula:	C8H5F2N
Canonical SMILES:	C1=CNC2=CC(=C(C=C21)F)F
InChI:	InChI=1S/C8H5F2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChI Key:	YCVSNMPGFSFANR-UHFFFAOYSA-N
Boiling Point:	264.5 °C at 760 mmHg
Density:	1.388 g/cm³
Appearance:	Off-white powder
LogP:	2.44610

Publication Number	Title	Priority Date
CN-111349237-A	Polyfluoro functional polybenzazole electrode material applied to supercapacitor and preparation method thereof	20200309
WO-2021138434-A1	Compounds and compositions for treating conditions associated with sting activity	20191231
WO-2021067805-A1	Oxalamide heterobycyclic compounds and compositions for treating conditions associated with sting activity	20191003
WO-2021000935-A1	Hpk1 inhibitors and uses thereof	20190704
WO-2020240272-A1	Preparation of novel 1 h-pyrazolo[4,3-d]pyrimidines, their compositions, synthesis and methods of using them for treating tuberculosis	20190531

PMID	Publication Date	Title	Journal
28406627	20170511	Diindolylmethane Derivatives: Potent Agonists of the Immunostimulatory Orphan G Protein-Coupled Receptor GPR84	Journal of medicinal chemistry

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Related Functional Groups

Indoles

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1884330-89-5]
1-Methyl-1H-indole-5-D
[2642-37-7]
Indoxyl sulfate potassium salt
[109021-59-2]
7-Methoxy-1H-indole-3-carbaldehyde
[53995-78-1]
Ethyl 5,6-dichloro-1H-indole-2-carboxylate
[171780-79-3]
5-Methoxy-7-methyl-4-azaindole

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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