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1010867-59-0 | methyl 4-({3-[4-(benzyloxy)-2-hydroxyphenyl]-1H-pyrazol-4-yl}oxy)benzoate
CAS No: 1010867-59-0 Catalog No: AG01FHRJ MDL No:
Product Description
Catalog Number:
AG01FHRJ
Chemical Name:
methyl 4-({3-[4-(benzyloxy)-2-hydroxyphenyl]-1H-pyrazol-4-yl}oxy)benzoate
CAS Number:
1010867-59-0
Molecular Formula:
C24H20N2O5
Molecular Weight:
416.4260
IUPAC Name:
methyl 4-[[5-(2-hydroxy-4-phenylmethoxyphenyl)-1H-pyrazol-4-yl]oxy]benzoate
InChI:
InChI=1S/C24H20N2O5/c1-29-24(28)17-7-9-18(10-8-17)31-22-14-25-26-23(22)20-12-11-19(13-21(20)27)30-15-16-5-3-2-4-6-16/h2-14,27H,15H2,1H3,(H,25,26)
InChI Key:
WSTADHNURUWUMN-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)Oc1c[nH]nc1c1ccc(cc1O)OCc1ccccc1
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.137g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
416.433g/mol
Monoisotopic Mass:
416.137g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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