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89068-57-5 | 1H-Pyrrole-2,5-dione, 1-(4-iodophenyl)-3,4-dimethyl-
CAS No: 89068-57-5 Catalog No: AG00410G MDL No:
Product Description
Catalog Number:
AG00410G
Chemical Name:
1H-Pyrrole-2,5-dione, 1-(4-iodophenyl)-3,4-dimethyl-
CAS Number:
89068-57-5
Molecular Formula:
C12H10INO2
Molecular Weight:
327.1178
IUPAC Name:
1-(4-iodophenyl)-3,4-dimethylpyrrole-2,5-dione
InChI:
InChI=1S/C12H10INO2/c1-7-8(2)12(16)14(11(7)15)10-5-3-9(13)4-6-10/h3-6H,1-2H3
InChI Key:
IITXJELXQDDZAC-UHFFFAOYSA-N
SMILES:
O=C1C(=C(C(=O)N1c1ccc(cc1)I)C)C
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.976g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.121g/mol
Monoisotopic Mass:
326.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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