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142189-88-6 | 3-IODO-1,4-DIHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE
CAS No: 142189-88-6 Catalog No: AG001HXK MDL No:MFCD09746270
Product Description
Catalog Number:
AG001HXK
Chemical Name:
3-IODO-1,4-DIHYDRO-PYRAZOLO[4,3-D]PYRIMIDIN-7-ONE
CAS Number:
142189-88-6
Molecular Formula:
C5H3IN4O
Molecular Weight:
262.0080
MDL Number:
MFCD09746270
IUPAC Name:
3-iodo-2,6-dihydropyrazolo[4,3-d]pyrimidin-7-one
InChI:
InChI=1S/C5H3IN4O/c6-4-2-3(9-10-4)5(11)8-1-7-2/h1H,(H,9,10)(H,7,8,11)
InChI Key:
ISUILBBWIFGVFS-UHFFFAOYSA-N
SMILES:
Ic1n[nH]c2c1nc[nH]c2=O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.935g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
262.01g/mol
Monoisotopic Mass:
261.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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