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Home > Nitro Compounds > 1171000-90-0
1171000-90-0 | 1-(2,2-diethoxyethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
CAS No: 1171000-90-0 Catalog No: AG01AOAR MDL No:MFCD09701478
Product Description
Catalog Number:
AG01AOAR
Chemical Name:
1-(2,2-diethoxyethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
CAS Number:
1171000-90-0
Molecular Formula:
C11H19N3O4
Molecular Weight:
257.2863
MDL Number:
MFCD09701478
IUPAC Name:
1-(2,2-diethoxyethyl)-3,5-dimethyl-4-nitropyrazole
InChI:
InChI=1S/C11H19N3O4/c1-5-17-10(18-6-2)7-13-9(4)11(14(15)16)8(3)12-13/h10H,5-7H2,1-4H3
InChI Key:
PVGKIAGWLVUVIO-UHFFFAOYSA-N
SMILES:
CCOC(Cn1nc(c(c1C)[N+](=O)[O-])C)OCC
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.138g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.29g/mol
Monoisotopic Mass:
257.138g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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