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4-Fluoro-7-methylindole

CAT: 0127-PC510216Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0127-PC510216Size:1 Each
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CAS Number
313337-32-5
MDL Number
MFCD09027019
Purity
=95%
Smiles
Cc1ccc(F)c2cc[nH]c12

Chemical Information

4-Fluoro-7-methyl-1H-indole
CAS Number313337-32-5
PubChem CID18412081
IUPAC Name4-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=C2C(=C(C=C1)F)C=CN2
InChI
InChI=1S/C9H8FN/c1-6-2-3-8(10)7-4-5-11-9(6)7/h2-5,11H,1H3
InChIKey
HQIRUGMHWJZMJJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Fluoro-7-methyl-1H-indole
CAS: 313337-32-5
CID: 18412081
Formula: C9H8FN
MW: 149.16
Interactive 3D Structure
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View on PubChemRaw 3D data
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

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