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Home > Nitro Compounds > 1240566-76-0
1240566-76-0 | 3-nitro-1-(octan-2-yl)-1H-pyrazole
CAS No: 1240566-76-0 Catalog No: AG00JUZX MDL No:MFCD16810649
Product Description
Catalog Number:
AG00JUZX
Chemical Name:
3-nitro-1-(octan-2-yl)-1H-pyrazole
CAS Number:
1240566-76-0
Molecular Formula:
C11H19N3O2
Molecular Weight:
225.2875
MDL Number:
MFCD16810649
IUPAC Name:
3-nitro-1-octan-2-ylpyrazole
InChI:
InChI=1S/C11H19N3O2/c1-3-4-5-6-7-10(2)13-9-8-11(12-13)14(15)16/h8-10H,3-7H2,1-2H3
InChI Key:
JXVXATOJMHBAAM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)C(CCCCCC)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.148g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.292g/mol
Monoisotopic Mass:
225.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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