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94590-85-9 | 1-(4-iodophenyl)pyrrolidine-2,5-dione
CAS No: 94590-85-9 Catalog No: AG0069Y0 MDL No:
Product Description
Catalog Number:
AG0069Y0
Chemical Name:
1-(4-iodophenyl)pyrrolidine-2,5-dione
CAS Number:
94590-85-9
Molecular Formula:
C10H8INO2
Molecular Weight:
301.0805
IUPAC Name:
1-(4-iodophenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C10H8INO2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-4H,5-6H2
InChI Key:
SZKOTYZMRQZKRV-UHFFFAOYSA-N
SMILES:
O=C1CCC(=O)N1c1ccc(cc1)I
NSC Number:
102078
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.96g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
301.083g/mol
Monoisotopic Mass:
300.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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