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7-Fluoro-1H-indole

CAT: 0931-TYD-00224-01Size: 10 gDry Ice: NoHazardous: No
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CAT#:0931-TYD-00224-01Size:10 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
387-44-0
Bioactivity
7-Fluoro-1H-indole is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
Smiles
FC1=CC=CC2=C1NC=C2
Molecular Formula
C8H6FN
Molecular Weight
135.1383
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-Fluoro-1H-indole
CAS Number387-44-0
PubChem CID2774504
IUPAC Name7-fluoro-1H-indole
Molecular FormulaC8H6FN
Molecular Weight135.14
XLogP2.9
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
C1=CC2=C(C(=C1)F)NC=C2
InChI
InChI=1S/C8H6FN/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5,10H
InChIKey
XONKJZDHGCMRRF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Fluoro-1H-indole
CAS: 387-44-0
CID: 2774504
Formula: C8H6FN
MW: 135.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight135.14
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass135.048427358
Monoisotopic Mass135.048427358
Topological Polar Surface Area15.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
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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