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943602-97-9 | 8-Iodo-7-methylquinazolin-4(3H)-one
CAS No: 943602-97-9 Catalog No: AG006BD9 MDL No:
Product Description
Catalog Number:
AG006BD9
Chemical Name:
8-Iodo-7-methylquinazolin-4(3H)-one
CAS Number:
943602-97-9
Molecular Formula:
C9H7IN2O
Molecular Weight:
286.0691
IUPAC Name:
8-iodo-7-methyl-3H-quinazolin-4-one
InChI:
InChI=1S/C9H7IN2O/c1-5-2-3-6-8(7(5)10)11-4-12-9(6)13/h2-4H,1H3,(H,11,12,13)
InChI Key:
VQJLQKDCUPAFSL-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1I)nc[nH]c2=O
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.96g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
286.072g/mol
Monoisotopic Mass:
285.96g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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