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50585-83-6

50585-83-6 | 5-Nitro-2-picolinoylbenzoic acid

CAS No: 50585-83-6 Catalog No: AG01EC61 MDL No:

Product Description

Catalog Number:
AG01EC61
Chemical Name:
5-Nitro-2-picolinoylbenzoic acid
CAS Number:
50585-83-6
IUPAC Name:
5-nitro-2-(pyridine-2-carbonyl)benzoic acid
InChI:
InChI=1S/C13H8N2O5/c16-12(11-3-1-2-6-14-11)9-5-4-8(15(19)20)7-10(9)13(17)18/h1-7H,(H,17,18)
InChI Key:
JTZOIXJQESAZQL-UHFFFAOYSA-N

Properties

Complexity:
406  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.043g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
272.216g/mol
Monoisotopic Mass:
272.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
113A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

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