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Home > Nitro Compounds > 163892-01-1
163892-01-1 | 1H-Pyrazole, 4,5-dihydro-1-(2-methylphenyl)-3-(4-nitrophenyl)-
CAS No: 163892-01-1 Catalog No: AG001UIN MDL No:
Product Description
Catalog Number:
AG001UIN
Chemical Name:
1H-Pyrazole, 4,5-dihydro-1-(2-methylphenyl)-3-(4-nitrophenyl)-
CAS Number:
163892-01-1
Molecular Formula:
C16H15N3O2
Molecular Weight:
281.3092
IUPAC Name:
2-(2-methylphenyl)-5-(4-nitrophenyl)-3,4-dihydropyrazole
InChI:
InChI=1S/C16H15N3O2/c1-12-4-2-3-5-16(12)18-11-10-15(17-18)13-6-8-14(9-7-13)19(20)21/h2-9H,10-11H2,1H3
InChI Key:
XHMKWKPYGKNFBZ-UHFFFAOYSA-N
SMILES:
Cc1ccccc1N1CCC(=N1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.116g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.315g/mol
Monoisotopic Mass:
281.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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