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119471-77-1 | Phenol, 4-[2-[4-(decyloxy)phenyl]-5-pyrimidinyl]-
CAS No: 119471-77-1 Catalog No: AG000P7R MDL No:
Product Description
Catalog Number:
AG000P7R
Chemical Name:
Phenol, 4-[2-[4-(decyloxy)phenyl]-5-pyrimidinyl]-
CAS Number:
119471-77-1
Molecular Formula:
C26H32N2O2
Molecular Weight:
404.5445
IUPAC Name:
4-[2-(4-decoxyphenyl)pyrimidin-5-yl]phenol
InChI:
InChI=1S/C26H32N2O2/c1-2-3-4-5-6-7-8-9-18-30-25-16-12-22(13-17-25)26-27-19-23(20-28-26)21-10-14-24(29)15-11-21/h10-17,19-20,29H,2-9,18H2,1H3
InChI Key:
ATEHZTMZNIQFOW-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCOc1ccc(cc1)c1ncc(cn1)c1ccc(cc1)O
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.246g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
404.554g/mol
Monoisotopic Mass:
404.246g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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