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Home > Nitro Compounds > 1171746-58-9
1171746-58-9 | 1-(2,2-diethoxyethyl)-4-nitro-1H-pyrazole
CAS No: 1171746-58-9 Catalog No: AG00HDTX MDL No:MFCD09701477
Product Description
Catalog Number:
AG00HDTX
Chemical Name:
1-(2,2-diethoxyethyl)-4-nitro-1H-pyrazole
CAS Number:
1171746-58-9
Molecular Formula:
C9H15N3O4
Molecular Weight:
229.2331
MDL Number:
MFCD09701477
IUPAC Name:
1-(2,2-diethoxyethyl)-4-nitropyrazole
InChI:
InChI=1S/C9H15N3O4/c1-3-15-9(16-4-2)7-11-6-8(5-10-11)12(13)14/h5-6,9H,3-4,7H2,1-2H3
InChI Key:
MTOINZKBNHAPFT-UHFFFAOYSA-N
SMILES:
CCOC(Cn1ncc(c1)[N+](=O)[O-])OCC
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.236g/mol
Monoisotopic Mass:
229.106g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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