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Home > Nitro Compounds > 1429418-19-8
1429418-19-8 | 1-ISOBUTYL-5-METHYL-3-NITRO-1H-PYRAZOLE
CAS No: 1429418-19-8 Catalog No: AG01AOQ8 MDL No:MFCD25370958
Product Description
Catalog Number:
AG01AOQ8
Chemical Name:
1-ISOBUTYL-5-METHYL-3-NITRO-1H-PYRAZOLE
CAS Number:
1429418-19-8
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
MDL Number:
MFCD25370958
IUPAC Name:
5-methyl-1-(2-methylpropyl)-3-nitropyrazole
InChI:
InChI=1S/C8H13N3O2/c1-6(2)5-10-7(3)4-8(9-10)11(12)13/h4,6H,5H2,1-3H3
InChI Key:
CTMOMCDNOVTFNV-UHFFFAOYSA-N
SMILES:
CC(Cn1nc(cc1C)[N+](=O)[O-])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:
2.1
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