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Home > Nitro Compounds > 26956-09-2
26956-09-2 | 1,4-dimethyl-3-nitro-1H-pyrazole
CAS No: 26956-09-2 Catalog No: AG01AOM9 MDL No:MFCD20491519
Product Description
Catalog Number:
AG01AOM9
Chemical Name:
1,4-dimethyl-3-nitro-1H-pyrazole
CAS Number:
26956-09-2
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD20491519
IUPAC Name:
1,4-dimethyl-3-nitropyrazole
InChI:
InChI=1S/C5H7N3O2/c1-4-3-7(2)6-5(4)8(9)10/h3H,1-2H3
InChI Key:
PCDSBHWKDOKENY-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)[N+](=O)[O-])C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
141.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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