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Home > Nitro Compounds > 1240578-69-1
1240578-69-1 | 1-(2-ethylhexyl)-3-nitro-1H-pyrazole
CAS No: 1240578-69-1 Catalog No: AG00JUYC MDL No:MFCD16810575
Product Description
Catalog Number:
AG00JUYC
Chemical Name:
1-(2-ethylhexyl)-3-nitro-1H-pyrazole
CAS Number:
1240578-69-1
Molecular Formula:
C11H19N3O2
Molecular Weight:
225.2875
MDL Number:
MFCD16810575
IUPAC Name:
1-(2-ethylhexyl)-3-nitropyrazole
InChI:
InChI=1S/C11H19N3O2/c1-3-5-6-10(4-2)9-13-8-7-11(12-13)14(15)16/h7-8,10H,3-6,9H2,1-2H3
InChI Key:
VNEMCWKPMYCDPV-UHFFFAOYSA-N
SMILES:
CCCCC(Cn1ccc(n1)[N+](=O)[O-])CC
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.148g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.292g/mol
Monoisotopic Mass:
225.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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