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1167056-71-4 | Methyl 6-nitro-1H-indazole-3-carboxylate
CAS No: 1167056-71-4 Catalog No: AG000D3O MDL No:MFCD11845648
Product Description
Catalog Number:
AG000D3O
Chemical Name:
Methyl 6-nitro-1H-indazole-3-carboxylate
CAS Number:
1167056-71-4
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
MDL Number:
MFCD11845648
IUPAC Name:
methyl 6-nitro-1H-indazole-3-carboxylate
InChI:
InChI=1S/C9H7N3O4/c1-16-9(13)8-6-3-2-5(12(14)15)4-7(6)10-11-8/h2-4H,1H3,(H,10,11)
InChI Key:
BTIPBYPPBACDLK-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c2c1ccc(c2)[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:
1.6
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