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1309365-09-0 | 1H-Indole-1-carboxylic acid, 3-iodo-4-methoxy-, 1,1-dimethylethyl ester
CAS No: 1309365-09-0 Catalog No: AG000V4O MDL No:
Product Description
Catalog Number:
AG000V4O
Chemical Name:
1H-Indole-1-carboxylic acid, 3-iodo-4-methoxy-, 1,1-dimethylethyl ester
CAS Number:
1309365-09-0
Molecular Formula:
C14H16INO3
Molecular Weight:
373.1862
IUPAC Name:
tert-butyl 3-iodo-4-methoxyindole-1-carboxylate
InChI:
InChI=1S/C14H16INO3/c1-14(2,3)19-13(17)16-8-9(15)12-10(16)6-5-7-11(12)18-4/h5-8H,1-4H3
InChI Key:
JLMMLBUGWIRNGF-UHFFFAOYSA-N
SMILES:
COc1cccc2c1c(I)cn2C(=O)OC(C)(C)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.017g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.19g/mol
Monoisotopic Mass:
373.017g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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