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102606-78-0 | 4(3H)-Pteridinone, 6-(4-fluorophenyl)-
CAS No: 102606-78-0 Catalog No: AG0007WM MDL No:
Product Description
Catalog Number:
AG0007WM
Chemical Name:
4(3H)-Pteridinone, 6-(4-fluorophenyl)-
CAS Number:
102606-78-0
Molecular Formula:
C12H7FN4O
Molecular Weight:
242.2086
IUPAC Name:
6-(4-fluorophenyl)-3H-pteridin-4-one
InChI:
InChI=1S/C12H7FN4O/c13-8-3-1-7(2-4-8)9-5-14-11-10(17-9)12(18)16-6-15-11/h1-6H,(H,14,15,16,18)
InChI Key:
RNKPEIAFFFKDGO-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1cnc2c(n1)c(=O)[nH]cn2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.213g/mol
Monoisotopic Mass:
242.06g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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