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Home > Nitro Compounds > 1005669-31-7
1005669-31-7 | 1-METHYL-4-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]-1H-PYRAZOLE
CAS No: 1005669-31-7 Catalog No: AG01ANZJ MDL No:MFCD04971129
Product Description
Catalog Number:
AG01ANZJ
Chemical Name:
1-METHYL-4-[(4-NITRO-1H-PYRAZOL-1-YL)METHYL]-1H-PYRAZOLE
CAS Number:
1005669-31-7
Molecular Formula:
C8H9N5O2
Molecular Weight:
207.1894
MDL Number:
MFCD04971129
IUPAC Name:
1-methyl-4-[(4-nitropyrazol-1-yl)methyl]pyrazole
InChI:
InChI=1S/C8H9N5O2/c1-11-4-7(2-9-11)5-12-6-8(3-10-12)13(14)15/h2-4,6H,5H2,1H3
InChI Key:
FFLZFRBKJSDOSI-UHFFFAOYSA-N
SMILES:
Cn1ncc(c1)Cn1ncc(c1)[N+](=O)[O-]
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.076g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.193g/mol
Monoisotopic Mass:
207.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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