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Home > Nitro Compounds > 825611-47-0
825611-47-0 | Phenol, 2-[5-[(1E)-2-(4-nitrophenyl)ethenyl]-1-phenyl-1H-pyrazol-3-yl]-
CAS No: 825611-47-0 Catalog No: AG004YOY MDL No:
Product Description
Catalog Number:
AG004YOY
Chemical Name:
Phenol, 2-[5-[(1E)-2-(4-nitrophenyl)ethenyl]-1-phenyl-1H-pyrazol-3-yl]-
CAS Number:
825611-47-0
Molecular Formula:
C23H17N3O3
Molecular Weight:
383.3994
IUPAC Name:
2-[5-[2-(4-nitrophenyl)ethenyl]-1-phenylpyrazol-3-yl]phenol
InChI:
InChI=1S/C23H17N3O3/c27-23-9-5-4-8-21(23)22-16-20(25(24-22)18-6-2-1-3-7-18)15-12-17-10-13-19(14-11-17)26(28)29/h1-16,27H
InChI Key:
GZGWFLDERUKRNU-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1nn(c(c1)/C=C/c1ccc(cc1)[N+](=O)[O-])c1ccccc1
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.127g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.407g/mol
Monoisotopic Mass:
383.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.3
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