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84321-35-7 | Isoselenazolo(4,3-d)pyrimidin-7(6H)-one, 6-phenyl-
CAS No: 84321-35-7 Catalog No: AG005684 MDL No:
Product Description
Catalog Number:
AG005684
Chemical Name:
Isoselenazolo(4,3-d)pyrimidin-7(6H)-one, 6-phenyl-
CAS Number:
84321-35-7
Molecular Formula:
C11H7N3OSe
Molecular Weight:
276.1528
IUPAC Name:
6-phenyl-[1,2]selenazolo[4,3-d]pyrimidin-7-one
InChI:
InChI=1S/C11H7N3OSe/c15-11-10-9(6-16-13-10)12-7-14(11)8-4-2-1-3-5-8/h1-7H
InChI Key:
ZGZOODIEESHZNJ-UHFFFAOYSA-N
SMILES:
O=c1c2n[se]cc2ncn1c1ccccc1
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.975g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.168g/mol
Monoisotopic Mass:
276.975g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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