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830343-35-6 | 2,4(1H,3H)-Quinazolinedione, 6-iodo-8-methyl-
CAS No: 830343-35-6 Catalog No: AG0052Z9 MDL No:
Product Description
Catalog Number:
AG0052Z9
Chemical Name:
2,4(1H,3H)-Quinazolinedione, 6-iodo-8-methyl-
CAS Number:
830343-35-6
Molecular Formula:
C9H7IN2O2
Molecular Weight:
302.0685
IUPAC Name:
6-iodo-8-methyl-1H-quinazoline-2,4-dione
InChI:
InChI=1S/C9H7IN2O2/c1-4-2-5(10)3-6-7(4)11-9(14)12-8(6)13/h2-3H,1H3,(H2,11,12,13,14)
InChI Key:
NCAPNCRHPCXTHP-UHFFFAOYSA-N
SMILES:
Ic1cc(C)c2c(c1)c(=O)[nH]c(=O)[nH]2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.955g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
302.071g/mol
Monoisotopic Mass:
301.955g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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