Home Carboxys Methyl 6-nitro-1H-indazole-4-carboxylate

Methyl 6-nitro-1H-indazole-4-carboxylate

CAS No.:
885518-55-8
Catalog Number:
AG004CPY
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
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Product Description
Catalog Number:
AG004CPY
Chemical Name:
Methyl 6-nitro-1H-indazole-4-carboxylate
CAS Number:
885518-55-8
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
MDL Number:
MFCD07781324
IUPAC Name:
methyl 6-nitro-1H-indazole-4-carboxylate
InChI:
InChI=1S/C9H7N3O4/c1-16-9(13)6-2-5(12(14)15)3-8-7(6)4-10-11-8/h2-4H,1H3,(H,10,11)
InChI Key:
HOJSKHUYDHPZKX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(cc2c1cn[nH]2)[N+](=O)[O-]
Properties
Complexity:
304  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.044g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.172g/mol
Monoisotopic Mass:
221.044g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties