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6-Fluoro-7-methylindole

CAT: 0024-sc-233580Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-233580Size:250 mg
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CAS Number
57817-10-4

Chemical Information

6-Fluoro-7-methyl-1H-indole
CAS Number57817-10-4
PubChem CID12272799
IUPAC Name6-fluoro-7-methyl-1H-indole
Molecular FormulaC9H8FN
Molecular Weight149.16
XLogP2.5
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity148
SMILES
CC1=C(C=CC2=C1NC=C2)F
InChI
InChI=1S/C9H8FN/c1-6-8(10)3-2-7-4-5-11-9(6)7/h2-5,11H,1H3
InChIKey
NWXBSWUAWHBOSL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Fluoro-7-methyl-1H-indole
CAS: 57817-10-4
CID: 12272799
Formula: C9H8FN
MW: 149.16
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight149.16
XLogP32.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass149.064077422
Monoisotopic Mass149.064077422
Topological Polar Surface Area15.8 Ų
Heavy Atom Count11
Formal Charge0
Complexity148
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