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1190318-39-8 | 5H-Pyrrolo[3,2-b]pyridin-5-one, 1,4-dihydro-3-iodo-
CAS No: 1190318-39-8 Catalog No: AG000HSS MDL No:
Product Description
Catalog Number:
AG000HSS
Chemical Name:
5H-Pyrrolo[3,2-b]pyridin-5-one, 1,4-dihydro-3-iodo-
CAS Number:
1190318-39-8
Molecular Formula:
C7H5IN2O
Molecular Weight:
260.0319
IUPAC Name:
3-iodo-1,4-dihydropyrrolo[3,2-b]pyridin-5-one
InChI:
InChI=1S/C7H5IN2O/c8-4-3-9-5-1-2-6(11)10-7(4)5/h1-3,9H,(H,10,11)
InChI Key:
JQMWFJWJSCPANL-UHFFFAOYSA-N
SMILES:
O=c1ccc2c([nH]1)c(I)c[nH]2
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.945g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
260.034g/mol
Monoisotopic Mass:
259.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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