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Home > Nitro Compounds > 1328640-84-1
1328640-84-1 | 5-(methoxymethyl)-1-methyl-3-nitro-pyrazole
CAS No: 1328640-84-1 Catalog No: AG019D66 MDL No:MFCD20491523
Product Description
Catalog Number:
AG019D66
Chemical Name:
5-(methoxymethyl)-1-methyl-3-nitro-pyrazole
CAS Number:
1328640-84-1
Molecular Formula:
C6H9N3O3
Molecular Weight:
171.1540
MDL Number:
MFCD20491523
IUPAC Name:
5-(methoxymethyl)-1-methyl-3-nitropyrazole
InChI:
InChI=1S/C6H9N3O3/c1-8-5(4-12-2)3-6(7-8)9(10)11/h3H,4H2,1-2H3
InChI Key:
QYMIVHHHOXQWIN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(n(n1)C)COC
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.064g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.156g/mol
Monoisotopic Mass:
171.064g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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