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Home > Nitro Compounds > 1240577-56-3
1240577-56-3 | 4-nitro-1-(pentan-2-yl)-1H-pyrazole
CAS No: 1240577-56-3 Catalog No: AG00JV1Q MDL No:
Product Description
Catalog Number:
AG00JV1Q
Chemical Name:
4-nitro-1-(pentan-2-yl)-1H-pyrazole
CAS Number:
1240577-56-3
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
IUPAC Name:
4-nitro-1-pentan-2-ylpyrazole
InChI:
InChI=1S/C8H13N3O2/c1-3-4-7(2)10-6-8(5-9-10)11(12)13/h5-7H,3-4H2,1-2H3
InChI Key:
WYQQYZLVSOSLDE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1)C(CCC)C
Properties
Complexity:
181
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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