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1261454-86-7 | 5-iodopyrazin-2-ol
CAS No: 1261454-86-7 Catalog No: AG01B8N4 MDL No:MFCD18417224
Product Description
Catalog Number:
AG01B8N4
Chemical Name:
5-iodopyrazin-2-ol
CAS Number:
1261454-86-7
Molecular Formula:
C4H3IN2O
Molecular Weight:
221.9839
MDL Number:
MFCD18417224
IUPAC Name:
5-iodo-1H-pyrazin-2-one
InChI:
InChI=1S/C4H3IN2O/c5-3-1-7-4(8)2-6-3/h1-2H,(H,7,8)
InChI Key:
ZOJAIRBRXDCYFT-UHFFFAOYSA-N
SMILES:
Oc1ncc(nc1)I
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.929g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.985g/mol
Monoisotopic Mass:
221.929g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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