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Home > Nitro Compounds > 1240569-48-5
1240569-48-5 | 3-nitro-1-nonyl-1H-pyrazole
CAS No: 1240569-48-5 Catalog No: AG00JUZB MDL No:MFCD16810622
Product Description
Catalog Number:
AG00JUZB
Chemical Name:
3-nitro-1-nonyl-1H-pyrazole
CAS Number:
1240569-48-5
Molecular Formula:
C12H21N3O2
Molecular Weight:
239.3140
MDL Number:
MFCD16810622
IUPAC Name:
3-nitro-1-nonylpyrazole
InChI:
InChI=1S/C12H21N3O2/c1-2-3-4-5-6-7-8-10-14-11-9-12(13-14)15(16)17/h9,11H,2-8,10H2,1H3
InChI Key:
DUHDLJPSTRVXSR-UHFFFAOYSA-N
SMILES:
CCCCCCCCCn1ccc(n1)[N+](=O)[O-]
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.319g/mol
Monoisotopic Mass:
239.163g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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