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Home > Nitro Compounds > 90253-26-2
90253-26-2 | 1H-Pyrazole, 4-cyclohexyl-1-(4-nitrophenyl)-
CAS No: 90253-26-2 Catalog No: AG00H6FW MDL No:
Product Description
Catalog Number:
AG00H6FW
Chemical Name:
1H-Pyrazole, 4-cyclohexyl-1-(4-nitrophenyl)-
CAS Number:
90253-26-2
Molecular Formula:
C15H17N3O2
Molecular Weight:
271.3144
IUPAC Name:
4-cyclohexyl-1-(4-nitrophenyl)pyrazole
InChI:
InChI=1S/C15H17N3O2/c19-18(20)15-8-6-14(7-9-15)17-11-13(10-16-17)12-4-2-1-3-5-12/h6-12H,1-5H2
InChI Key:
OEFFMTQCAAMURM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)n1ncc(c1)C1CCCCC1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.132g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.32g/mol
Monoisotopic Mass:
271.132g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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