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Home > Nitro Compounds > 1006683-76-6
1006683-76-6 | 1,3-dimethyl-4-(2-nitroethenyl)-1H-pyrazole
CAS No: 1006683-76-6 Catalog No: AG01AOGR MDL No:MFCD08554078
Product Description
Catalog Number:
AG01AOGR
Chemical Name:
1,3-dimethyl-4-(2-nitroethenyl)-1H-pyrazole
CAS Number:
1006683-76-6
Molecular Formula:
C7H9N3O2
Molecular Weight:
167.1653
MDL Number:
MFCD08554078
IUPAC Name:
1,3-dimethyl-4-(2-nitroethenyl)pyrazole
InChI:
InChI=1S/C7H9N3O2/c1-6-7(3-4-10(11)12)5-9(2)8-6/h3-5H,1-2H3
InChI Key:
ZLPQECQXOSYESI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C=Cc1cn(nc1C)C
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.069g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.168g/mol
Monoisotopic Mass:
167.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.9
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