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185386-75-8

185386-75-8 | Zinc, iodo[9-(phenylmethyl)-9H-purin-6-yl]-

CAS No: 185386-75-8 Catalog No: AG0077F3 MDL No:

Product Description

Catalog Number:
AG0077F3
Chemical Name:
Zinc, iodo[9-(phenylmethyl)-9H-purin-6-yl]-
CAS Number:
185386-75-8
Molecular Formula:
C12H9IN4Zn
Molecular Weight:
401.5111
IUPAC Name:
9-benzyl-6H-purin-6-ide;iodozinc(1+)
InChI:
InChI=1S/C12H9N4.HI.Zn/c1-2-4-10(5-3-1)7-16-9-15-11-6-13-8-14-12(11)16;;/h1-5,8-9H,7H2;1H;/q-1;;+2/p-1
InChI Key:
UZBNQMFAQGYSTR-UHFFFAOYSA-M
SMILES:
I[Zn]c1ncnc2c1ncn2Cc1ccccc1

Properties

Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.916g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
401.516g/mol
Monoisotopic Mass:
399.916g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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