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126957-47-9 | Phenol, 4-[2-[4-(hexyloxy)phenyl]-5-pyrimidinyl]-
CAS No: 126957-47-9 Catalog No: AG000WH0 MDL No:
Product Description
Catalog Number:
AG000WH0
Chemical Name:
Phenol, 4-[2-[4-(hexyloxy)phenyl]-5-pyrimidinyl]-
CAS Number:
126957-47-9
Molecular Formula:
C22H24N2O2
Molecular Weight:
348.4382
IUPAC Name:
4-[2-(4-hexoxyphenyl)pyrimidin-5-yl]phenol
InChI:
InChI=1S/C22H24N2O2/c1-2-3-4-5-14-26-21-12-8-18(9-13-21)22-23-15-19(16-24-22)17-6-10-20(25)11-7-17/h6-13,15-16,25H,2-5,14H2,1H3
InChI Key:
ILQFXQVEQFBFPM-UHFFFAOYSA-N
SMILES:
CCCCCCOc1ccc(cc1)c1ncc(cn1)c1ccc(cc1)O
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.184g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
348.446g/mol
Monoisotopic Mass:
348.184g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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