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Home > Nitro Compounds > 86111-62-8
86111-62-8 | 4-NITRO-1-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]-1H-PYRAZOLE
CAS No: 86111-62-8 Catalog No: AG01ANVO MDL No:MFCD00812310
Product Description
Catalog Number:
AG01ANVO
Chemical Name:
4-NITRO-1-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]-1H-PYRAZOLE
CAS Number:
86111-62-8
Molecular Formula:
C7H6N6O4
Molecular Weight:
238.1603
MDL Number:
MFCD00812310
IUPAC Name:
4-nitro-1-[(4-nitropyrazol-1-yl)methyl]pyrazole
InChI:
InChI=1S/C7H6N6O4/c14-12(15)6-1-8-10(3-6)5-11-4-7(2-9-11)13(16)17/h1-4H,5H2
InChI Key:
PWKYKRGSXDRYOB-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cnn(c1)Cn1ncc(c1)[N+](=O)[O-]
NSC Number:
373758
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.045g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.163g/mol
Monoisotopic Mass:
238.045g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
127A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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