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Home > Nitro Compounds > 13436-55-0
13436-55-0 | 1-(5-Nitro-1H-indazol-1-yl)ethanone
CAS No: 13436-55-0 Catalog No: AG003DWN MDL No:MFCD09261292
Product Description
Catalog Number:
AG003DWN
Chemical Name:
1-(5-Nitro-1H-indazol-1-yl)ethanone
CAS Number:
13436-55-0
Molecular Formula:
C9H7N3O3
Molecular Weight:
205.1702
MDL Number:
MFCD09261292
IUPAC Name:
1-(5-nitroindazol-1-yl)ethanone
InChI:
InChI=1S/C9H7N3O3/c1-6(13)11-9-3-2-8(12(14)15)4-7(9)5-10-11/h2-5H,1H3
InChI Key:
JWCNYGFAYNMHPZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cnn2C(=O)C
Properties
Complexity:
289
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.049g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.173g/mol
Monoisotopic Mass:
205.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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