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Home > Nitro Compounds > 1368382-45-9
1368382-45-9 | 1-(1-methyl-3-nitro-1H-pyrazol-5-yl)ethan-1-one
CAS No: 1368382-45-9 Catalog No: AG01AFPF MDL No:MFCD22067500
Product Description
Catalog Number:
AG01AFPF
Chemical Name:
1-(1-methyl-3-nitro-1H-pyrazol-5-yl)ethan-1-one
CAS Number:
1368382-45-9
Molecular Formula:
C6H7N3O3
Molecular Weight:
169.1381
MDL Number:
MFCD22067500
IUPAC Name:
1-(2-methyl-5-nitropyrazol-3-yl)ethanone
InChI:
InChI=1S/C6H7N3O3/c1-4(10)5-3-6(9(11)12)7-8(5)2/h3H,1-2H3
InChI Key:
HYOCXDWDAGEALZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nn(c(c1)C(=O)C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.14g/mol
Monoisotopic Mass:
169.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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