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158013-42-4 | iodoHoechst 33258
CAS No: 158013-42-4 Catalog No: AG00ABKQ MDL No:
Product Description
Catalog Number:
AG00ABKQ
Chemical Name:
iodoHoechst 33258
CAS Number:
158013-42-4
Molecular Formula:
C25H23IN6
Molecular Weight:
534.3948
IUPAC Name:
2-(3-iodophenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
InChI:
InChI=1S/C25H23IN6/c1-31-9-11-32(12-10-31)19-6-8-21-23(15-19)30-25(28-21)17-5-7-20-22(14-17)29-24(27-20)16-3-2-4-18(26)13-16/h2-8,13-15H,9-12H2,1H3,(H,27,29)(H,28,30)
InChI Key:
ZEXOKHKEQNNOBG-UHFFFAOYSA-N
SMILES:
CN1CCN(CC1)c1ccc2c(c1)[nH]c(n2)c1ccc2c(c1)[nH]c(n2)c1cccc(c1)I
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
534.103g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
534.405g/mol
Monoisotopic Mass:
534.103g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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