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945256-30-4 | 3?iodo?5?methoxy?1?(4?methylbenzenesulfonyl)?1H?pyrrolo[2,3?b]pyridine
CAS No: 945256-30-4 Catalog No: AG00IL1U MDL No:MFCD15529495
Product Description
Catalog Number:
AG00IL1U
Chemical Name:
3?iodo?5?methoxy?1?(4?methylbenzenesulfonyl)?1H?pyrrolo[2,3?b]pyridine
CAS Number:
945256-30-4
Molecular Formula:
C15H13IN2O3S
Molecular Weight:
428.2448
MDL Number:
MFCD15529495
IUPAC Name:
3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C15H13IN2O3S/c1-10-3-5-12(6-4-10)22(19,20)18-9-14(16)13-7-11(21-2)8-17-15(13)18/h3-9H,1-2H3
InChI Key:
KERLBPDHIGHFCM-UHFFFAOYSA-N
SMILES:
COc1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
488
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.969g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
428.244g/mol
Monoisotopic Mass:
427.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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