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2,3-Dimethyl-5-fluoroindole

CAT: 0127-PC520512-01Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-PC520512-01Size:250 mg
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CAS Number
526-47-6
MDL Number
MFCD01158420
Purity
97%
Smiles
Cc1[nH]c2ccc(F)cc2c1C

Chemical Information

5-Fluoro-2,3-dimethyl-1H-indole
CAS Number526-47-6
PubChem CID794037
IUPAC Name5-fluoro-2,3-dimethyl-1H-indole
Molecular FormulaC10H10FN
Molecular Weight163.19
XLogP2.9
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity171
SMILES
CC1=C(NC2=C1C=C(C=C2)F)C
InChI
InChI=1S/C10H10FN/c1-6-7(2)12-10-4-3-8(11)5-9(6)10/h3-5,12H,1-2H3
InChIKey
PMOQBVDDGHQQEM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Fluoro-2,3-dimethyl-1H-indole
CAS: 526-47-6
CID: 794037
Formula: C10H10FN
MW: 163.19
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight163.19
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass163.079727485
Monoisotopic Mass163.079727485
Topological Polar Surface Area15.8 Ų
Heavy Atom Count12
Formal Charge0
Complexity171
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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