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114496-32-1 | 4(3H)-Quinazolinone, 3-amino-6-iodo-2-methyl-
CAS No: 114496-32-1 Catalog No: AG000EKB MDL No:
Product Description
Catalog Number:
AG000EKB
Chemical Name:
4(3H)-Quinazolinone, 3-amino-6-iodo-2-methyl-
CAS Number:
114496-32-1
Molecular Formula:
C9H8IN3O
Molecular Weight:
301.0838
IUPAC Name:
3-amino-6-iodo-2-methylquinazolin-4-one
InChI:
InChI=1S/C9H8IN3O/c1-5-12-8-3-2-6(10)4-7(8)9(14)13(5)11/h2-4H,11H2,1H3
InChI Key:
GDGMKQCPQCJJAC-UHFFFAOYSA-N
SMILES:
Ic1ccc2c(c1)c(=O)n(c(n2)C)N
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.971g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
301.087g/mol
Monoisotopic Mass:
300.971g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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