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60611-68-9

60611-68-9 | 5-(4-Nitrobenzyl)pyridin-2-yl hydrogen carbonate

CAS No: 60611-68-9 Catalog No: AG01ECHI MDL No:

Product Description

Catalog Number:
AG01ECHI
Chemical Name:
5-(4-Nitrobenzyl)pyridin-2-yl hydrogen carbonate
CAS Number:
60611-68-9
IUPAC Name:
[5-[(4-nitrophenyl)methyl]pyridin-2-yl] hydrogen carbonate
InChI:
InChI=1S/C13H10N2O5/c16-13(17)20-12-6-3-10(8-14-12)7-9-1-4-11(5-2-9)15(18)19/h1-6,8H,7H2,(H,16,17)
InChI Key:
UTZXEOFWIHTKSG-UHFFFAOYSA-N

Properties

Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.059g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
274.232g/mol
Monoisotopic Mass:
274.059g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  

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