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Home > Nitro Compounds > 90008-59-6
90008-59-6 | 1-ETHYL-3,5-DIMETHYL-4-NITRO-1H-PYRAZOLE
CAS No: 90008-59-6 Catalog No: AG00GSAC MDL No:MFCD03444364
Product Description
Catalog Number:
AG00GSAC
Chemical Name:
1-ETHYL-3,5-DIMETHYL-4-NITRO-1H-PYRAZOLE
CAS Number:
90008-59-6
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD03444364
IUPAC Name:
1-ethyl-3,5-dimethyl-4-nitropyrazole
InChI:
InChI=1S/C7H11N3O2/c1-4-9-6(3)7(10(11)12)5(2)8-9/h4H2,1-3H3
InChI Key:
JOFFXYAXIJPCIB-UHFFFAOYSA-N
SMILES:
CCn1nc(c(c1C)[N+](=O)[O-])C
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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