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5,6-Difluoroindole

CAT: 0926-FD52307-01Size: 2 gDry Ice: NoHazardous: No
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CAT#:0926-FD52307-01Size:2 g
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CAS Number
169674-01-5
MDL Number
MFCD01075212
Smiles
C1=CNC2=CC (=C (C=C21) F) F
Molecular Formula
C8H5NF2
Molecular Weight
153.13 g/mol
Controlled
No

Chemical Information

5,6-Difluoro-1H-indole
CAS Number169674-01-5
PubChem CID2778732
IUPAC Name5,6-difluoro-1H-indole
Molecular FormulaC8H5F2N
Molecular Weight153.13
XLogP2.2
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity151
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
InChIKey
YCVSNMPGFSFANR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,6-Difluoro-1H-indole
CAS: 169674-01-5
CID: 2778732
Formula: C8H5F2N
MW: 153.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.13
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass153.03900549
Monoisotopic Mass153.03900549
Topological Polar Surface Area15.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity151
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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