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Home Aminos 3-(5-cyanopyridin-2-ylamino)benzoic acid

3-(5-cyanopyridin-2-ylamino)benzoic acid

CAS No.:
1094668-69-5
Catalog Number:
AG00961R
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$143
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Product Description
Catalog Number:
AG00961R
Chemical Name:
3-(5-cyanopyridin-2-ylamino)benzoic acid
CAS Number:
1094668-69-5
Molecular Formula:
C13H9N3O2
Molecular Weight:
239.2295
MDL Number:
MFCD11548992
IUPAC Name:
3-[(5-cyanopyridin-2-yl)amino]benzoic acid
InChI:
InChI=1S/C13H9N3O2/c14-7-9-4-5-12(15-8-9)16-11-3-1-2-10(6-11)13(17)18/h1-6,8H,(H,15,16)(H,17,18)
InChI Key:
HRSXJPPCQVJSLV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(nc1)Nc1cccc(c1)C(=O)O
Properties
Complexity:
349  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.234g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties