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Home > Nitro Compounds > 66296-67-1
66296-67-1 | 1-METHYL-3,4-DINITRO-1H-PYRAZOLE
CAS No: 66296-67-1 Catalog No: AG00FXIB MDL No:MFCD00466337
Product Description
Catalog Number:
AG00FXIB
Chemical Name:
1-METHYL-3,4-DINITRO-1H-PYRAZOLE
CAS Number:
66296-67-1
Molecular Formula:
C4H4N4O4
Molecular Weight:
172.0990
MDL Number:
MFCD00466337
IUPAC Name:
1-methyl-3,4-dinitropyrazole
InChI:
InChI=1S/C4H4N4O4/c1-6-2-3(7(9)10)4(5-6)8(11)12/h2H,1H3
InChI Key:
VDTOUIPOAUVOLP-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)[N+](=O)[O-])[N+](=O)[O-]
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.023g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.1g/mol
Monoisotopic Mass:
172.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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