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Home > Nitro Compounds > 1240572-64-8
1240572-64-8 | 3-nitro-1-tetradecyl-1H-pyrazole
CAS No: 1240572-64-8 Catalog No: AG00JUZA MDL No:MFCD16810621
Product Description
Catalog Number:
AG00JUZA
Chemical Name:
3-nitro-1-tetradecyl-1H-pyrazole
CAS Number:
1240572-64-8
Molecular Formula:
C17H31N3O2
Molecular Weight:
309.4469
MDL Number:
MFCD16810621
IUPAC Name:
3-nitro-1-tetradecylpyrazole
InChI:
InChI=1S/C17H31N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-19-16-14-17(18-19)20(21)22/h14,16H,2-13,15H2,1H3
InChI Key:
IXHFRTWLZFPASX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCn1ccc(n1)[N+](=O)[O-]
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.242g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
309.454g/mol
Monoisotopic Mass:
309.242g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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