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Home > Nitro Compounds > 1170498-61-9
1170498-61-9 | 1-(2,2-DIETHOXYETHYL)-5-METHYL-3-NITRO-1H-PYRAZOLE
CAS No: 1170498-61-9 Catalog No: AG01AOAS MDL No:MFCD09701480
Product Description
Catalog Number:
AG01AOAS
Chemical Name:
1-(2,2-DIETHOXYETHYL)-5-METHYL-3-NITRO-1H-PYRAZOLE
CAS Number:
1170498-61-9
Molecular Formula:
C10H17N3O4
Molecular Weight:
243.2597
MDL Number:
MFCD09701480
IUPAC Name:
1-(2,2-diethoxyethyl)-5-methyl-3-nitropyrazole
InChI:
InChI=1S/C10H17N3O4/c1-4-16-10(17-5-2)7-12-8(3)6-9(11-12)13(14)15/h6,10H,4-5,7H2,1-3H3
InChI Key:
IWYPPDHYPBNYKU-UHFFFAOYSA-N
SMILES:
CCOC(Cn1nc(cc1C)[N+](=O)[O-])OCC
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.122g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.263g/mol
Monoisotopic Mass:
243.122g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
82.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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