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128209-46-1 | Phenol, 4-[5-[4-(nonyloxy)phenyl]-2-pyrimidinyl]-
CAS No: 128209-46-1 Catalog No: AG000XUZ MDL No:
Product Description
Catalog Number:
AG000XUZ
Chemical Name:
Phenol, 4-[5-[4-(nonyloxy)phenyl]-2-pyrimidinyl]-
CAS Number:
128209-46-1
Molecular Formula:
C25H30N2O2
Molecular Weight:
390.5179
IUPAC Name:
4-[2-(4-nonoxyphenyl)pyrimidin-5-yl]phenol
InChI:
InChI=1S/C25H30N2O2/c1-2-3-4-5-6-7-8-17-29-24-15-11-21(12-16-24)25-26-18-22(19-27-25)20-9-13-23(28)14-10-20/h9-16,18-19,28H,2-8,17H2,1H3
InChI Key:
LSGPAEJAYMWPQX-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOc1ccc(cc1)c1cnc(nc1)c1ccc(cc1)O
Properties
Complexity:
409
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
390.231g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.527g/mol
Monoisotopic Mass:
390.231g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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