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1403746-51-9 | 1H-Pyrrolo[2,3-b]pyridine-1,5-dicarboxylic acid, 3-iodo-, 1-(1,1-dimethylethyl) 5-methyl ester
CAS No: 1403746-51-9 Catalog No: AG001C9U MDL No:
Product Description
Catalog Number:
AG001C9U
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-1,5-dicarboxylic acid, 3-iodo-, 1-(1,1-dimethylethyl) 5-methyl ester
CAS Number:
1403746-51-9
Molecular Formula:
C14H15IN2O4
Molecular Weight:
402.1844
IUPAC Name:
1-O-tert-butyl 5-O-methyl 3-iodopyrrolo[2,3-b]pyridine-1,5-dicarboxylate
InChI:
InChI=1S/C14H15IN2O4/c1-14(2,3)21-13(19)17-7-10(15)9-5-8(12(18)20-4)6-16-11(9)17/h5-7H,1-4H3
InChI Key:
FTNOAAUBNJVNRH-UHFFFAOYSA-N
SMILES:
COC(=O)c1cnc2c(c1)c(I)cn2C(=O)OC(C)(C)C
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.008g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.188g/mol
Monoisotopic Mass:
402.008g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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