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Home > Nitro Compounds > 825611-44-7
825611-44-7 | Phenol, 2-[3-[(1E)-2-(4-nitrophenyl)ethenyl]-1-phenyl-1H-pyrazol-5-yl]-
CAS No: 825611-44-7 Catalog No: AG005DXD MDL No:
Product Description
Catalog Number:
AG005DXD
Chemical Name:
Phenol, 2-[3-[(1E)-2-(4-nitrophenyl)ethenyl]-1-phenyl-1H-pyrazol-5-yl]-
CAS Number:
825611-44-7
Molecular Formula:
C23H17N3O3
Molecular Weight:
383.3994
IUPAC Name:
2-[5-[2-(4-nitrophenyl)ethenyl]-2-phenylpyrazol-3-yl]phenol
InChI:
InChI=1S/C23H17N3O3/c27-23-9-5-4-8-21(23)22-16-18(24-25(22)19-6-2-1-3-7-19)13-10-17-11-14-20(15-12-17)26(28)29/h1-16,27H
InChI Key:
AODKJJUGSZZNSN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)/C=C/c1nn(c(c1)c1ccccc1O)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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