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Home > Aldehydes > 1000341-26-3
1000341-26-3 | 1H-Indazole-3-carboxaldehyde, 6-methoxy-4-nitro-
CAS No: 1000341-26-3 Catalog No: AG0000H1 MDL No:
Product Description
Catalog Number:
AG0000H1
Chemical Name:
1H-Indazole-3-carboxaldehyde, 6-methoxy-4-nitro-
CAS Number:
1000341-26-3
Molecular Formula:
C9H7N3O4
Molecular Weight:
221.1696
IUPAC Name:
6-methoxy-4-nitro-2H-indazole-3-carbaldehyde
InChI:
InChI=1S/C9H7N3O4/c1-16-5-2-6-9(7(4-13)11-10-6)8(3-5)12(14)15/h2-4H,1H3,(H,10,11)
InChI Key:
HFVPVBUGMTYFIU-UHFFFAOYSA-N
SMILES:
COc1cc2[nH]nc(c2c(c1)[N+](=O)[O-])C=O
Properties
Complexity:
293
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:
1.1
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