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N-Boc-5-methoxyindole

CAT: 0024-sc-228684Size: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-228684Size:1 g
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CAS Number
99275-47-5

Chemical Information

N-Boc-5-methoxyindole
CAS Number99275-47-5
PubChem CID11831752
IUPAC Nametert-butyl 5-methoxyindole-1-carboxylate
Molecular FormulaC14H17NO3
Molecular Weight247.29
XLogP3.2
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count18
Formal Charge0
Complexity311
SMILES
CC(C)(C)OC(=O)N1C=CC2=C1C=CC(=C2)OC
InChI
InChI=1S/C14H17NO3/c1-14(2,3)18-13(16)15-8-7-10-9-11(17-4)5-6-12(10)15/h5-9H,1-4H3
InChIKey
LPSLGTZFBDZNEK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Boc-5-methoxyindole
CAS: 99275-47-5
CID: 11831752
Formula: C14H17NO3
MW: 247.29
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight247.29
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass247.12084340
Monoisotopic Mass247.12084340
Topological Polar Surface Area40.5 Ų
Heavy Atom Count18
Formal Charge0
Complexity311
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
NFA34418N-Boc-6-methoxyindole
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