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Home Aminos 4-(isonicotinoylamino)benzoic acid

4-(isonicotinoylamino)benzoic acid

CAS No.:
5651-66-1
Catalog Number:
AG00J9AG
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
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Product Description
Catalog Number:
AG00J9AG
Chemical Name:
4-(isonicotinoylamino)benzoic acid
CAS Number:
5651-66-1
Molecular Formula:
C13H10N2O3
Molecular Weight:
242.2301
MDL Number:
MFCD00690329
IUPAC Name:
4-(pyridine-4-carbonylamino)benzoic acid
InChI:
InChI=1S/C13H10N2O3/c16-12(9-5-7-14-8-6-9)15-11-3-1-10(2-4-11)13(17)18/h1-8H,(H,15,16)(H,17,18)
InChI Key:
SFDOUCZRVOYGNG-UHFFFAOYSA-N
SMILES:
O=C(c1ccncc1)Nc1ccc(cc1)C(=O)O
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.069g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
242.234g/mol
Monoisotopic Mass:
242.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
79.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Literature
Title Journal
Two ligand-functionalized Pb(II) metal-organic frameworks: structures and catalytic performances. Dalton transactions (Cambridge, England : 2003) 20120914
Properties