Home Aminos 3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid

3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid

CAS No.:
384855-46-3
Catalog Number:
AG00C8MN
Molecular Formula:
C13H11N3O4
Molecular Weight:
273.2441
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$125
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Product Description
Catalog Number:
AG00C8MN
Chemical Name:
3-Nitro-4-[(3-pyridinylmethyl)amino]benzoic acid
CAS Number:
384855-46-3
Molecular Formula:
C13H11N3O4
Molecular Weight:
273.2441
MDL Number:
MFCD02221224
IUPAC Name:
3-nitro-4-(pyridin-3-ylmethylamino)benzoic acid
InChI:
InChI=1S/C13H11N3O4/c17-13(18)10-3-4-11(12(6-10)16(19)20)15-8-9-2-1-5-14-7-9/h1-7,15H,8H2,(H,17,18)
InChI Key:
XISBJMWNSNWBAT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1NCc1cccnc1)C(=O)O
Properties
Complexity:
358  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.075g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
273.248g/mol
Monoisotopic Mass:
273.075g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties