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100540-61-2 | 4(3H)-Quinazolinone, 6,8-diiodo-
CAS No: 100540-61-2 Catalog No: AG0002AB MDL No:
Product Description
Catalog Number:
AG0002AB
Chemical Name:
4(3H)-Quinazolinone, 6,8-diiodo-
CAS Number:
100540-61-2
Molecular Formula:
C8H4I2N2O
Molecular Weight:
397.9391
IUPAC Name:
6,8-diiodo-3H-quinazolin-4-one
InChI:
InChI=1S/C8H4I2N2O/c9-4-1-5-7(6(10)2-4)11-3-12-8(5)13/h1-3H,(H,11,12,13)
InChI Key:
BKXIKKIMTDJQTM-UHFFFAOYSA-N
SMILES:
Ic1cc(I)c2c(c1)c(=O)[nH]cn2
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
397.841g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
397.942g/mol
Monoisotopic Mass:
397.841g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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