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1190317-37-3 | 1H-Pyrrolo[2,3-b]pyridine, 3-iodo-6-methoxy-
CAS No: 1190317-37-3 Catalog No: AG000HRJ MDL No:
Product Description
Catalog Number:
AG000HRJ
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 3-iodo-6-methoxy-
CAS Number:
1190317-37-3
Molecular Formula:
C8H7IN2O
Molecular Weight:
274.0584
IUPAC Name:
3-iodo-6-methoxy-1H-pyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C8H7IN2O/c1-12-7-3-2-5-6(9)4-10-8(5)11-7/h2-4H,1H3,(H,10,11)
InChI Key:
IPEGQDHLWYOJHE-UHFFFAOYSA-N
SMILES:
COc1ccc2c(n1)[nH]cc2I
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.96g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.061g/mol
Monoisotopic Mass:
273.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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