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Home > Nitro Compounds > 1003011-93-5
1003011-93-5 | 1-hexyl-3-nitro-1H-pyrazole
CAS No: 1003011-93-5 Catalog No: AG00JUZU MDL No:MFCD16810646
Product Description
Catalog Number:
AG00JUZU
Chemical Name:
1-hexyl-3-nitro-1H-pyrazole
CAS Number:
1003011-93-5
Molecular Formula:
C9H15N3O2
Molecular Weight:
197.2343
MDL Number:
MFCD16810646
IUPAC Name:
1-hexyl-3-nitropyrazole
InChI:
InChI=1S/C9H15N3O2/c1-2-3-4-5-7-11-8-6-9(10-11)12(13)14/h6,8H,2-5,7H2,1H3
InChI Key:
VPXHAPJCHMANCA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccn(n1)CCCCCC
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.238g/mol
Monoisotopic Mass:
197.116g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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