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Home > Nitro Compounds > 90253-27-3
90253-27-3 | 1H-Pyrazole, 4-cycloheptyl-1-(4-nitrophenyl)-
CAS No: 90253-27-3 Catalog No: AG00H6FV MDL No:
Product Description
Catalog Number:
AG00H6FV
Chemical Name:
1H-Pyrazole, 4-cycloheptyl-1-(4-nitrophenyl)-
CAS Number:
90253-27-3
Molecular Formula:
C16H19N3O2
Molecular Weight:
285.3410
IUPAC Name:
4-cycloheptyl-1-(4-nitrophenyl)pyrazole
InChI:
InChI=1S/C16H19N3O2/c20-19(21)16-9-7-15(8-10-16)18-12-14(11-17-18)13-5-3-1-2-4-6-13/h7-13H,1-6H2
InChI Key:
JFXZKLKDKZFMHF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1ncc(c1)C1CCCCCC1
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.148g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.347g/mol
Monoisotopic Mass:
285.148g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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