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7-Bromo-5-methylindole

CAT: 0024-sc-227112Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-227112Size:100 mg
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CAS Number
15936-79-5

Chemical Information

7-Bromo-5-methyl-1H-indole
CAS Number15936-79-5
PubChem CID3403330
IUPAC Name7-bromo-5-methyl-1H-indole
Molecular FormulaC9H8BrN
Molecular Weight210.07
XLogP3.1
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity148
SMILES
CC1=CC2=C(C(=C1)Br)NC=C2
InChI
InChI=1S/C9H8BrN/c1-6-4-7-2-3-11-9(7)8(10)5-6/h2-5,11H,1H3
InChIKey
DCPYEEKBRKJUCY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Bromo-5-methyl-1H-indole
CAS: 15936-79-5
CID: 3403330
Formula: C9H8BrN
MW: 210.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight210.07
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass208.98401
Monoisotopic Mass208.98401
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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