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Home > Nitro Compounds > 1240569-20-3
1240569-20-3 | 4-nitro-1-pentyl-1H-pyrazole
CAS No: 1240569-20-3 Catalog No: AG00JV19 MDL No:MFCD16810711
Product Description
Catalog Number:
AG00JV19
Chemical Name:
4-nitro-1-pentyl-1H-pyrazole
CAS Number:
1240569-20-3
Molecular Formula:
C8H13N3O2
Molecular Weight:
183.2077
MDL Number:
MFCD16810711
IUPAC Name:
4-nitro-1-pentylpyrazole
InChI:
InChI=1S/C8H13N3O2/c1-2-3-4-5-10-7-8(6-9-10)11(12)13/h6-7H,2-5H2,1H3
InChI Key:
ULORQNVZJRARTE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cn(nc1)CCCCC
Properties
Complexity:
169
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:
4
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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