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175093-14-8

175093-14-8 | Benzamide, 4-azido-2-hydroxy-3,5-diiodo-N-[2-(2-pyridinyldithio)ethyl]-

CAS No: 175093-14-8 Catalog No: AG00204G MDL No:

Product Description

Catalog Number:
AG00204G
Chemical Name:
Benzamide, 4-azido-2-hydroxy-3,5-diiodo-N-[2-(2-pyridinyldithio)ethyl]-
CAS Number:
175093-14-8
Molecular Formula:
C14H11I2N5O2S2
Molecular Weight:
599.2084
IUPAC Name:
4-azido-2-hydroxy-3,5-diiodo-N-[2-(pyridin-2-yldisulfanyl)ethyl]benzamide
InChI:
InChI=1S/C14H11I2N5O2S2/c15-9-7-8(13(22)11(16)12(9)20-21-17)14(23)19-5-6-24-25-10-3-1-2-4-18-10/h1-4,7,22H,5-6H2,(H,19,23)
InChI Key:
CKOHBPRDAGSGHJ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1c(I)cc(c(c1I)O)C(=O)NCCSSc1ccccn1

Properties

Complexity:
498  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
598.844g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
599.204g/mol
Monoisotopic Mass:
598.844g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1  

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