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147916-84-5 | Pyrazolo[1,5-a]-1,3,5-triazin-4(3H)-one, 8-iodo-
CAS No: 147916-84-5 Catalog No: AG001F9R MDL No:MFCD27987054
Product Description
Catalog Number:
AG001F9R
Chemical Name:
Pyrazolo[1,5-a]-1,3,5-triazin-4(3H)-one, 8-iodo-
CAS Number:
147916-84-5
Molecular Formula:
C5H3IN4O
Molecular Weight:
262.0080
MDL Number:
MFCD27987054
IUPAC Name:
8-iodo-3H-pyrazolo[1,5-a][1,3,5]triazin-4-one
InChI:
InChI=1S/C5H3IN4O/c6-3-1-9-10-4(3)7-2-8-5(10)11/h1-2H,(H,7,8,11)
InChI Key:
RMTOJUXMHWGEHX-UHFFFAOYSA-N
SMILES:
Ic1cnn2c1nc[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:
1
Isotope Atom Count:
0
Molecular Weight:
262.01g/mol
Monoisotopic Mass:
261.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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