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Home > Nitro Compounds > 70951-91-6
70951-91-6 | 3-ethyl-4-nitro-1H-pyrazole
CAS No: 70951-91-6 Catalog No: AG019GES MDL No:MFCD16619850
Product Description
Catalog Number:
AG019GES
Chemical Name:
3-ethyl-4-nitro-1H-pyrazole
CAS Number:
70951-91-6
Molecular Formula:
C5H7N3O2
Molecular Weight:
141.1280
MDL Number:
MFCD16619850
IUPAC Name:
5-ethyl-4-nitro-1H-pyrazole
InChI:
InChI=1S/C5H7N3O2/c1-2-4-5(8(9)10)3-6-7-4/h3H,2H2,1H3,(H,6,7)
InChI Key:
IZKKZGVEYKHLBN-UHFFFAOYSA-N
SMILES:
CCc1n[nH]cc1[N+](=O)[O-]
Properties
Complexity:
133
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:
1
Isotope Atom Count:
0
Molecular Weight:
141.13g/mol
Monoisotopic Mass:
141.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
74.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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