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136947-30-3 | 1H-Pyrrole-2,5-dione, 1-[2-(4-iodophenyl)ethyl]-
CAS No: 136947-30-3 Catalog No: AG0012KZ MDL No:
Product Description
Catalog Number:
AG0012KZ
Chemical Name:
1H-Pyrrole-2,5-dione, 1-[2-(4-iodophenyl)ethyl]-
CAS Number:
136947-30-3
Molecular Formula:
C12H10INO2
Molecular Weight:
327.1178
IUPAC Name:
1-[2-(4-iodophenyl)ethyl]pyrrole-2,5-dione
InChI:
InChI=1S/C12H10INO2/c13-10-3-1-9(2-4-10)7-8-14-11(15)5-6-12(14)16/h1-6H,7-8H2
InChI Key:
BBHWVOAAMFIUKX-UHFFFAOYSA-N
SMILES:
O=C1C=CC(=O)N1CCc1ccc(cc1)I
Properties
Complexity:
301
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:
3
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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