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1167055-79-9 | 1H-Indazole-3-carboxylic acid, 5,7-dinitro-
CAS No: 1167055-79-9 Catalog No: AG000D1V MDL No:
Product Description
Catalog Number:
AG000D1V
Chemical Name:
1H-Indazole-3-carboxylic acid, 5,7-dinitro-
CAS Number:
1167055-79-9
Molecular Formula:
C8H4N4O6
Molecular Weight:
252.1406
IUPAC Name:
5,7-dinitro-2H-indazole-3-carboxylic acid
InChI:
InChI=1S/C8H4N4O6/c13-8(14)7-4-1-3(11(15)16)2-5(12(17)18)6(4)9-10-7/h1-2H,(H,9,10)(H,13,14)
InChI Key:
IWMGPKOQPCXSEW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc2c(n[nH]c2c(c1)[N+](=O)[O-])C(=O)O
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.013g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.142g/mol
Monoisotopic Mass:
252.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
158A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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