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80200-69-7 | 1H-Pyrazole, 4-phenyl-1-[2-[4-(phenylmethoxy)phenoxy]ethyl]-
CAS No: 80200-69-7 Catalog No: AG0054DA MDL No:
Product Description
Catalog Number:
AG0054DA
Chemical Name:
1H-Pyrazole, 4-phenyl-1-[2-[4-(phenylmethoxy)phenoxy]ethyl]-
CAS Number:
80200-69-7
Molecular Formula:
C24H22N2O2
Molecular Weight:
370.4437
IUPAC Name:
4-phenyl-1-[2-(4-phenylmethoxyphenoxy)ethyl]pyrazole
InChI:
InChI=1S/C24H22N2O2/c1-3-7-20(8-4-1)19-28-24-13-11-23(12-14-24)27-16-15-26-18-22(17-25-26)21-9-5-2-6-10-21/h1-14,17-18H,15-16,19H2
InChI Key:
XKALREBPFHZYBZ-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1ccc(cc1)OCCn1ncc(c1)c1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.168g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.452g/mol
Monoisotopic Mass:
370.168g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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