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139120-35-7 | 9H-Purine, 9,9'-(1,8-octanediyl)bis[6-chloro-
CAS No: 139120-35-7 Catalog No: AG001ABT MDL No:
Product Description
Catalog Number:
AG001ABT
Chemical Name:
9H-Purine, 9,9'-(1,8-octanediyl)bis[6-chloro-
CAS Number:
139120-35-7
Molecular Formula:
C18H20Cl2N8
Molecular Weight:
419.3110
IUPAC Name:
6-chloro-9-[8-(6-chloropurin-9-yl)octyl]purine
InChI:
InChI=1S/C18H20Cl2N8/c19-15-13-17(23-9-21-15)27(11-25-13)7-5-3-1-2-4-6-8-28-12-26-14-16(20)22-10-24-18(14)28/h9-12H,1-8H2
InChI Key:
GHMRSUSCBCJJOR-UHFFFAOYSA-N
SMILES:
Clc1ncnc2c1ncn2CCCCCCCCn1cnc2c1ncnc2Cl
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.119g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
419.314g/mol
Monoisotopic Mass:
418.119g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
87.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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