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869358-30-5 | 1,4-Benzenedicarboxamide, N,N'-dibutyl-N,N'-bis(4-iodophenyl)-
CAS No: 869358-30-5 Catalog No: AG004L9F MDL No:
Product Description
Catalog Number:
AG004L9F
Chemical Name:
1,4-Benzenedicarboxamide, N,N'-dibutyl-N,N'-bis(4-iodophenyl)-
CAS Number:
869358-30-5
Molecular Formula:
C28H30I2N2O2
Molecular Weight:
680.3589
IUPAC Name:
1-N,4-N-dibutyl-1-N,4-N-bis(4-iodophenyl)benzene-1,4-dicarboxamide
InChI:
InChI=1S/C28H30I2N2O2/c1-3-5-19-31(25-15-11-23(29)12-16-25)27(33)21-7-9-22(10-8-21)28(34)32(20-6-4-2)26-17-13-24(30)14-18-26/h7-18H,3-6,19-20H2,1-2H3
InChI Key:
OENDANWPRCPSPA-UHFFFAOYSA-N
SMILES:
CCCCN(C(=O)c1ccc(cc1)C(=O)N(c1ccc(cc1)I)CCCC)c1ccc(cc1)I
Properties
Complexity:
568
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
680.04g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
680.369g/mol
Monoisotopic Mass:
680.04g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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