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88670-79-5 | 2H-Indazole, 2-[2-[4-(phenylmethoxy)phenoxy]ethyl]-
CAS No: 88670-79-5 Catalog No: AG0048KI MDL No:
Product Description
Catalog Number:
AG0048KI
Chemical Name:
2H-Indazole, 2-[2-[4-(phenylmethoxy)phenoxy]ethyl]-
CAS Number:
88670-79-5
Molecular Formula:
C22H20N2O2
Molecular Weight:
344.4064
IUPAC Name:
2-[2-(4-phenylmethoxyphenoxy)ethyl]indazole
InChI:
InChI=1S/C22H20N2O2/c1-2-6-18(7-3-1)17-26-21-12-10-20(11-13-21)25-15-14-24-16-19-8-4-5-9-22(19)23-24/h1-13,16H,14-15,17H2
InChI Key:
TXDQFTBWFFCADB-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)COc1ccc(cc1)OCCn1cc2c(n1)cccc2
Properties
Complexity:
405
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.414g/mol
Monoisotopic Mass:
344.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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