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Home > Nitro Compounds > 1864956-08-0
1864956-08-0 | 1-(3-methylbutyl)-5-nitro-1H-pyrazole
CAS No: 1864956-08-0 Catalog No: AG00I1TJ MDL No:
Product Description
Catalog Number:
AG00I1TJ
Chemical Name:
1-(3-methylbutyl)-5-nitro-1H-pyrazole
CAS Number:
1864956-08-0
IUPAC Name:
1-(3-methylbutyl)-5-nitropyrazole
InChI:
InChI=1S/C8H13N3O2/c1-7(2)4-6-10-8(11(12)13)3-5-9-10/h3,5,7H,4,6H2,1-2H3
InChI Key:
KRQOMEMDUVOOAN-UHFFFAOYSA-N
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.101g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.211g/mol
Monoisotopic Mass:
183.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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