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4,6-difluoroindoline

CAT: 0024-sc-349831ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-349831ASize:1 g
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CAS Number
199526-98-2

Chemical Information

4,6-Difluoro-2,3-dihydro-1H-indole
CAS Number199526-98-2
PubChem CID16244449
IUPAC Name4,6-difluoro-2,3-dihydro-1H-indole
Molecular FormulaC8H7F2N
Molecular Weight155.14
XLogP2.1
Topological Polar Surface Area12
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity151
SMILES
C1CNC2=C1C(=CC(=C2)F)F
InChI
InChI=1S/C8H7F2N/c9-5-3-7(10)6-1-2-11-8(6)4-5/h3-4,11H,1-2H2
InChIKey
SPLRNYJYNJAJHJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4,6-Difluoro-2,3-dihydro-1H-indole
CAS: 199526-98-2
CID: 16244449
Formula: C8H7F2N
MW: 155.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.14
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass155.05465555
Monoisotopic Mass155.05465555
Topological Polar Surface Area12 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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PC1003005-016,7-Difluoroindoline
PC201385-015,6-Difluoroindoline
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PC100440-016-Bromo-4,7-difluoroindoline-2,3-dione
PC1002690-015-Bromo-4,7-difluoroindoline
PC251339-016,7-Difluoroindoline-2,3-dione
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