200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1172006-28-8
1172006-28-8 | 1-ISOPROPYL-5-METHYL-3-NITRO-1H-PYRAZOLE
CAS No: 1172006-28-8 Catalog No: AG01DV0V MDL No:MFCD09468152
Product Description
Catalog Number:
AG01DV0V
Chemical Name:
1-ISOPROPYL-5-METHYL-3-NITRO-1H-PYRAZOLE
CAS Number:
1172006-28-8
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD09468152
IUPAC Name:
5-methyl-3-nitro-1-propan-2-ylpyrazole
InChI:
InChI=1S/C7H11N3O2/c1-5(2)9-6(3)4-7(8-9)10(11)12/h4-5H,1-3H3
InChI Key:
OICXZOHWYQLZTC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nn(c(c1)C)C(C)C
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.