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113817-06-4 | 2,5-Pyrrolidinedione, 1-(3-bromo-5-iodophenyl)-
CAS No: 113817-06-4 Catalog No: AG0009S6 MDL No:
Product Description
Catalog Number:
AG0009S6
Chemical Name:
2,5-Pyrrolidinedione, 1-(3-bromo-5-iodophenyl)-
CAS Number:
113817-06-4
Molecular Formula:
C10H7BrINO2
Molecular Weight:
379.9765
IUPAC Name:
1-(3-bromo-5-iodophenyl)pyrrolidine-2,5-dione
InChI:
InChI=1S/C10H7BrINO2/c11-6-3-7(12)5-8(4-6)13-9(14)1-2-10(13)15/h3-5H,1-2H2
InChI Key:
FKHMAFQHYSGOBQ-UHFFFAOYSA-N
SMILES:
Brc1cc(I)cc(c1)N1C(=O)CCC1=O
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.87g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.979g/mol
Monoisotopic Mass:
378.87g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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