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Home > Indoles and Oxindole > 914349-29-4
914349-29-4 | 5-(Benzyloxy)-3-iodo-1H-indole, N-BOC protected
CAS No: 914349-29-4 Catalog No: AG00IGOQ MDL No:MFCD05864771
Product Description
Catalog Number:
AG00IGOQ
Chemical Name:
5-(Benzyloxy)-3-iodo-1H-indole, N-BOC protected
CAS Number:
914349-29-4
Molecular Formula:
C20H20INO3
Molecular Weight:
449.2822
MDL Number:
MFCD05864771
IUPAC Name:
tert-butyl 3-iodo-5-phenylmethoxyindole-1-carboxylate
InChI:
InChI=1S/C20H20INO3/c1-20(2,3)25-19(23)22-12-17(21)16-11-15(9-10-18(16)22)24-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3
InChI Key:
XMZGUATULZXTJG-UHFFFAOYSA-N
SMILES:
Ic1cn(c2c1cc(OCc1ccccc1)cc2)C(=O)OC(C)(C)C
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
449.049g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
449.288g/mol
Monoisotopic Mass:
449.049g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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