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1260859-55-9 | 4(3H)-Pteridinone, 6-iodo-
CAS No: 1260859-55-9 Catalog No: AG000RH0 MDL No:
Product Description
Catalog Number:
AG000RH0
Chemical Name:
4(3H)-Pteridinone, 6-iodo-
CAS Number:
1260859-55-9
Molecular Formula:
C6H3IN4O
Molecular Weight:
274.0187
IUPAC Name:
6-iodo-3H-pteridin-4-one
InChI:
InChI=1S/C6H3IN4O/c7-3-1-8-5-4(11-3)6(12)10-2-9-5/h1-2H,(H,8,9,10,12)
InChI Key:
JIHPWXFQJJWWFC-UHFFFAOYSA-N
SMILES:
Ic1cnc2c(n1)c(=O)[nH]cn2
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.935g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.021g/mol
Monoisotopic Mass:
273.935g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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