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1239602-17-5 | 4H-Pyrrolo[3,2-d]pyrimidin-4-one, 3,5-dihydro-7-iodo-
CAS No: 1239602-17-5 Catalog No: AG000LAK MDL No:MFCD26743635
Product Description
Catalog Number:
AG000LAK
Chemical Name:
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 3,5-dihydro-7-iodo-
CAS Number:
1239602-17-5
Molecular Formula:
C6H4IN3O
Molecular Weight:
261.0199
MDL Number:
MFCD26743635
IUPAC Name:
7-iodo-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C6H4IN3O/c7-3-1-8-5-4(3)9-2-10-6(5)11/h1-2,8H,(H,9,10,11)
InChI Key:
ZLPOJZQAWRURRG-UHFFFAOYSA-N
SMILES:
Ic1c[nH]c2c1nc[nH]c2=O
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.94g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
261.022g/mol
Monoisotopic Mass:
260.94g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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