4,5-Difluoroindole

CAT: 0024-sc-267802Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-267802Size:100 mg

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CAS Number

247564-63-2

Chemical Information

4,5-Difluoro-1H-indole

CAS Number	247564-63-2
PubChem CID	24729516
IUPAC Name	4,5-difluoro-1H-indole
Molecular Formula	C8H5F2N
Molecular Weight	153.13
XLogP	2.2
Topological Polar Surface Area	15.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Heavy Atom Count	11
Formal Charge	0
Complexity	151

SMILES

C1=CC(=C(C2=C1NC=C2)F)F

InChI

InChI=1S/C8H5F2N/c9-6-1-2-7-5(8(6)10)3-4-11-7/h1-4,11H

InChIKey

JKIMQGBSJJPZOI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 247564-63-2

CID: 24729516

Formula: C8H5F2N

MW: 153.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	153.13
XLogP3	2.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	0
Exact Mass	153.03900549
Monoisotopic Mass	153.03900549
Topological Polar Surface Area	15.8 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	151
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
274053-01	4,5-Difluoroindole
233600-01	4,5-Difluoroindole ≥97%
FD52307-01	5,6-Difluoroindole
PDK0432-01	5,7-Difluoroindole
274059-01	4,6-Difluoroindole
234409-01	5,6-Difluoroindole 99+% (HPLC)
233618-01	4,6-Difluoroindole 98+% (GC)
PC3024-01	5,6-Difluoroindole-2-carboxylic acid
433812-01	4,6-Difluoroindole-2-carboxylic acid
019236	4,4,5,5,5-Pentafluoropentanol