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116355-38-5 | Phenol, 4-[4,5-dihydro-3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-5-yl]-
CAS No: 116355-38-5 Catalog No: AG000CAH MDL No:
Product Description
Catalog Number:
AG000CAH
Chemical Name:
Phenol, 4-[4,5-dihydro-3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-5-yl]-
CAS Number:
116355-38-5
Molecular Formula:
C22H20N2O2
Molecular Weight:
344.4064
IUPAC Name:
4-[5-(4-methoxyphenyl)-2-phenyl-3,4-dihydropyrazol-3-yl]phenol
InChI:
InChI=1S/C22H20N2O2/c1-26-20-13-9-16(10-14-20)21-15-22(17-7-11-19(25)12-8-17)24(23-21)18-5-3-2-4-6-18/h2-14,22,25H,15H2,1H3
InChI Key:
FLURGPMZNOSMML-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)O)c1ccccc1
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.152g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
344.414g/mol
Monoisotopic Mass:
344.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
45.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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