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Home > Nitro Compounds > 1795426-53-7
1795426-53-7 | 3-methyl-1-(2-methylpropyl)-4-nitro-1H-pyrazole
CAS No: 1795426-53-7 Catalog No: AG01AOTO MDL No:MFCD28962826
Product Description
Catalog Number:
AG01AOTO
Chemical Name:
3-methyl-1-(2-methylpropyl)-4-nitro-1H-pyrazole
CAS Number:
1795426-53-7
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
MDL Number:
MFCD28962826
IUPAC Name:
3-methyl-1-(2-methylpropyl)-4-nitropyrazole
InChI:
InChI=1S/C8H13N3O2/c1-6(2)4-10-5-8(11(12)13)7(3)9-10/h5-6H,4H2,1-3H3
InChI Key:
UDFWBCBRVQSFPM-UHFFFAOYSA-N
SMILES:
CC(Cn1nc(c(c1)[N+](=O)[O-])C)C
Properties
Complexity:
190
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:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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