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Home > Imidazoles > 825622-01-3
825622-01-3 | 1H-Pyrazole, 4-nitro-3-[4-phenyl-5-(2-propenyl)-1H-imidazol-2-yl]-
CAS No: 825622-01-3 Catalog No: AG0053UJ MDL No:
Product Description
Catalog Number:
AG0053UJ
Chemical Name:
1H-Pyrazole, 4-nitro-3-[4-phenyl-5-(2-propenyl)-1H-imidazol-2-yl]-
CAS Number:
825622-01-3
Molecular Formula:
C15H13N5O2
Molecular Weight:
295.2960
IUPAC Name:
2-(4-nitro-1H-pyrazol-5-yl)-4-phenyl-5-prop-2-enyl-1H-imidazole
InChI:
InChI=1S/C15H13N5O2/c1-2-6-11-13(10-7-4-3-5-8-10)18-15(17-11)14-12(20(21)22)9-16-19-14/h2-5,7-9H,1,6H2,(H,16,19)(H,17,18)
InChI Key:
XHUCQKWMORAHLV-UHFFFAOYSA-N
SMILES:
C=CCc1[nH]c(nc1c1ccccc1)c1n[nH]cc1[N+](=O)[O-]
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.107g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
295.302g/mol
Monoisotopic Mass:
295.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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