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Home > Nitro Compounds > 1003011-98-0
1003011-98-0 | 3-nitro-1-octyl-1H-pyrazole
CAS No: 1003011-98-0 Catalog No: AG00JUZE MDL No:MFCD16810624
Product Description
Catalog Number:
AG00JUZE
Chemical Name:
3-nitro-1-octyl-1H-pyrazole
CAS Number:
1003011-98-0
Molecular Formula:
C11H19N3O2
Molecular Weight:
225.2875
MDL Number:
MFCD16810624
IUPAC Name:
3-nitro-1-octylpyrazole
InChI:
InChI=1S/C11H19N3O2/c1-2-3-4-5-6-7-9-13-10-8-11(12-13)14(15)16/h8,10H,2-7,9H2,1H3
InChI Key:
IJTZINFKLCVVAK-UHFFFAOYSA-N
SMILES:
CCCCCCCCn1ccc(n1)[N+](=O)[O-]
Properties
Complexity:
206
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:
7
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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