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857801-97-9 | 6-Nitro-1H-indazole-3-carboxylic acid
CAS No: 857801-97-9 Catalog No: AG004XXO MDL No:MFCD06410880
Product Description
Catalog Number:
AG004XXO
Chemical Name:
6-Nitro-1H-indazole-3-carboxylic acid
CAS Number:
857801-97-9
Molecular Formula:
C8H5N3O4
Molecular Weight:
207.1430
MDL Number:
MFCD06410880
IUPAC Name:
6-nitro-1H-indazole-3-carboxylic acid
InChI:
InChI=1S/C8H5N3O4/c12-8(13)7-5-2-1-4(11(14)15)3-6(5)9-10-7/h1-3H,(H,9,10)(H,12,13)
InChI Key:
AZQFFHKDZNETBK-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)[nH]nc2C(=O)O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.145g/mol
Monoisotopic Mass:
207.028g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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