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135352-71-5 | 5-Iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CAS No: 135352-71-5 Catalog No: AG007LFZ MDL No:MFCD09746273
Product Description
Catalog Number:
AG007LFZ
Chemical Name:
5-Iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CAS Number:
135352-71-5
Molecular Formula:
C6H4IN3O
Molecular Weight:
261.0199
MDL Number:
MFCD09746273
IUPAC Name:
5-iodo-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C6H4IN3O/c7-3-1-8-5-4(3)6(11)10-2-9-5/h1-2H,(H2,8,9,10,11)
InChI Key:
QHYIUMOXLCMESH-UHFFFAOYSA-N
SMILES:
Ic1c[nH]c2c1c(=O)[nH]cn2
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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