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6-Chloromelatonin

CAT: 0024-sc-203481ASize: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-203481ASize:50 mg
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CAS Number
63762-74-3

Chemical Information

6-Chloromelatonin

N-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide is a member of acetamides.

CAS Number63762-74-3
PubChem CID1858
IUPAC NameN-[2-(6-chloro-5-methoxy-1H-indol-3-yl)ethyl]acetamide
Molecular FormulaC13H15ClN2O2
Molecular Weight266.72
XLogP2.2
Topological Polar Surface Area54.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Heavy Atom Count18
Formal Charge0
Complexity301
SMILES
CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)Cl
InChI
InChI=1S/C13H15ClN2O2/c1-8(17)15-4-3-9-7-16-12-6-11(14)13(18-2)5-10(9)12/h5-7,16H,3-4H2,1-2H3,(H,15,17)
InChIKey
LUINDDOUWHRIPW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Chloromelatonin
CAS: 63762-74-3
CID: 1858
Formula: C13H15ClN2O2
MW: 266.72
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight266.72
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass266.0822054
Monoisotopic Mass266.0822054
Topological Polar Surface Area54.1 Ų
Heavy Atom Count18
Formal Charge0
Complexity301
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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CatalogName
438436-016-Chloromelatonin
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