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Home > Nitro Compounds > 1171733-17-7
1171733-17-7 | 3-METHOXY-4,4'-DINITRO-1'H-[1,3']BIPYRAZOLYL
CAS No: 1171733-17-7 Catalog No: AG00JAXO MDL No:MFCD11983275
Product Description
Catalog Number:
AG00JAXO
Chemical Name:
3-METHOXY-4,4'-DINITRO-1'H-[1,3']BIPYRAZOLYL
CAS Number:
1171733-17-7
Molecular Formula:
C7H6N6O5
Molecular Weight:
254.1597
MDL Number:
MFCD11983275
IUPAC Name:
3-methoxy-4-nitro-1-(4-nitro-1H-pyrazol-5-yl)pyrazole
InChI:
InChI=1S/C7H6N6O5/c1-18-7-5(13(16)17)3-11(10-7)6-4(12(14)15)2-8-9-6/h2-3H,1H3,(H,8,9)
InChI Key:
CCGKCSPUPQBCKO-UHFFFAOYSA-N
SMILES:
COc1nn(cc1[N+](=O)[O-])c1n[nH]cc1[N+](=O)[O-]
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.04g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
254.162g/mol
Monoisotopic Mass:
254.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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