Home Carbonyls 2-(Aminocarbonyl)-3-nitrobenzoic Acid Potassium Salt

2-(Aminocarbonyl)-3-nitrobenzoic Acid Potassium Salt

CAS No.:
943522-94-9
Catalog Number:
AG005Z10
Molecular Formula:
C8H5KN2O5
Molecular Weight:
248.2340
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Product Description
Catalog Number:
AG005Z10
Chemical Name:
2-(Aminocarbonyl)-3-nitrobenzoic Acid Potassium Salt
CAS Number:
943522-94-9
Molecular Formula:
C8H5KN2O5
Molecular Weight:
248.2340
MDL Number:
MFCD16659947
IUPAC Name:
potassium;2-carbamoyl-3-nitrobenzoate
InChI:
InChI=1S/C8H6N2O5.K/c9-7(11)6-4(8(12)13)2-1-3-5(6)10(14)15;/h1-3H,(H2,9,11)(H,12,13);/q;+1/p-1
InChI Key:
CYPXVTNTCARPDV-UHFFFAOYSA-M
SMILES:
[O-]C(=O)c1cccc(c1C(=O)N)[N+](=O)[O-].[K+]
Properties
Complexity:
292  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.984g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
248.235g/mol
Monoisotopic Mass:
247.984g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties