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82452-98-0 | 3-iodo-4(1H)-Cinnolinone
CAS No: 82452-98-0 Catalog No: AG00G7MM MDL No:
Product Description
Catalog Number:
AG00G7MM
Chemical Name:
3-iodo-4(1H)-Cinnolinone
CAS Number:
82452-98-0
IUPAC Name:
3-iodo-1H-cinnolin-4-one
InChI:
InChI=1S/C8H5IN2O/c9-8-7(12)5-3-1-2-4-6(5)10-11-8/h1-4H,(H,10,12)
InChI Key:
RKZBITNHZWXBIH-UHFFFAOYSA-N
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.945g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.045g/mol
Monoisotopic Mass:
271.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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