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84487-09-2 | 2-Amino-5-nitroisonicotinic acid
CAS No: 84487-09-2 Catalog No: AG004S0R MDL No:MFCD19441223
Product Description
Catalog Number:
AG004S0R
Chemical Name:
2-Amino-5-nitroisonicotinic acid
CAS Number:
84487-09-2
Molecular Formula:
C6H5N3O4
Molecular Weight:
183.1216
MDL Number:
MFCD19441223
IUPAC Name:
2-amino-5-nitropyridine-4-carboxylic acid
InChI:
InChI=1S/C6H5N3O4/c7-5-1-3(6(10)11)4(2-8-5)9(12)13/h1-2H,(H2,7,8)(H,10,11)
InChI Key:
DCHWNCQMEJONFH-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(c1)C(=O)O)[N+](=O)[O-]
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
183.123g/mol
Monoisotopic Mass:
183.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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