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89379-13-5 | 1H-Purine, 2-chloro-6,8-diiodo-
CAS No: 89379-13-5 Catalog No: AG003WME MDL No:
Product Description
Catalog Number:
AG003WME
Chemical Name:
1H-Purine, 2-chloro-6,8-diiodo-
CAS Number:
89379-13-5
Molecular Formula:
C5HClI2N4
Molecular Weight:
406.3502
IUPAC Name:
2-chloro-6,8-diiodo-7H-purine
InChI:
InChI=1S/C5HClI2N4/c6-4-10-2(7)1-3(11-4)12-5(8)9-1/h(H,9,10,11,12)
InChI Key:
RXRAUPXLJPLFJH-UHFFFAOYSA-N
SMILES:
Clc1[nH]c(I)c2c(n1)nc(n2)I
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
405.798g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
406.35g/mol
Monoisotopic Mass:
405.798g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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