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73972-89-1 | 2-IODOACETYL-3-METHYL-1,4-PHTHALAZINEDIONE
CAS No: 73972-89-1 Catalog No: AG005AG9 MDL No:
Product Description
Catalog Number:
AG005AG9
Chemical Name:
2-IODOACETYL-3-METHYL-1,4-PHTHALAZINEDIONE
CAS Number:
73972-89-1
Molecular Formula:
C11H9IN2O3
Molecular Weight:
344.1052
IUPAC Name:
2-(2-iodoacetyl)-3-methylphthalazine-1,4-dione
InChI:
InChI=1S/C11H9IN2O3/c1-13-10(16)7-4-2-3-5-8(7)11(17)14(13)9(15)6-12/h2-5H,6H2,1H3
InChI Key:
AHHZZYNMXBMHKT-UHFFFAOYSA-N
SMILES:
ICC(=O)c1cccc2c1c(=O)n(C)[nH]c2=O
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.966g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.108g/mol
Monoisotopic Mass:
343.966g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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