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Home > Nitro Compounds > 84158-00-9
84158-00-9 | 1H-Pyrazole-1-pentanenitrile, 5-nitro-
CAS No: 84158-00-9 Catalog No: AG004SH0 MDL No:
Product Description
Catalog Number:
AG004SH0
Chemical Name:
1H-Pyrazole-1-pentanenitrile, 5-nitro-
CAS Number:
84158-00-9
Molecular Formula:
C8H10N4O2
Molecular Weight:
194.1906
IUPAC Name:
5-(5-nitropyrazol-1-yl)pentanenitrile
InChI:
InChI=1S/C8H10N4O2/c9-5-2-1-3-7-11-8(12(13)14)4-6-10-11/h4,6H,1-3,7H2
InChI Key:
PUBFHAOQXBRIJT-UHFFFAOYSA-N
SMILES:
N#CCCCCn1nccc1[N+](=O)[O-]
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.08g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.194g/mol
Monoisotopic Mass:
194.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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