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Home > Nitro Compounds > 1001519-02-3
1001519-02-3 | 1-(3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-3,5-DIMETHYL-4-NITRO-1H-PYRAZOLE
CAS No: 1001519-02-3 Catalog No: AG01AO0B MDL No:MFCD05667120
Product Description
Catalog Number:
AG01AO0B
Chemical Name:
1-(3,5-DIMETHYL-PYRAZOL-1-YLMETHYL)-3,5-DIMETHYL-4-NITRO-1H-PYRAZOLE
CAS Number:
1001519-02-3
Molecular Formula:
C11H15N5O2
Molecular Weight:
249.2691
MDL Number:
MFCD05667120
IUPAC Name:
1-[(3,5-dimethylpyrazol-1-yl)methyl]-3,5-dimethyl-4-nitropyrazole
InChI:
InChI=1S/C11H15N5O2/c1-7-5-8(2)14(12-7)6-15-10(4)11(16(17)18)9(3)13-15/h5H,6H2,1-4H3
InChI Key:
OLOSNBSVZWZCOS-UHFFFAOYSA-N
SMILES:
Cc1cc(n(n1)Cn1nc(c(c1C)[N+](=O)[O-])C)C
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.123g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.274g/mol
Monoisotopic Mass:
249.123g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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