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115770-81-5

115770-81-5 | Phenol, 4-[5-(dodecyloxy)-2-pyrimidinyl]-

CAS No: 115770-81-5 Catalog No: AG000GUU MDL No:

Product Description

Catalog Number:
AG000GUU
Chemical Name:
Phenol, 4-[5-(dodecyloxy)-2-pyrimidinyl]-
CAS Number:
115770-81-5
Molecular Formula:
C22H32N2O2
Molecular Weight:
356.5017
IUPAC Name:
4-(5-dodecoxypyrimidin-2-yl)phenol
InChI:
InChI=1S/C22H32N2O2/c1-2-3-4-5-6-7-8-9-10-11-16-26-21-17-23-22(24-18-21)19-12-14-20(25)15-13-19/h12-15,17-18,25H,2-11,16H2,1H3
InChI Key:
VUOJMDQQWOQWCD-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1cnc(nc1)c1ccc(cc1)O

Properties

Complexity:
324  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
356.246g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
356.51g/mol
Monoisotopic Mass:
356.246g/mol
Rotatable Bond Count:
13  
Topological Polar Surface Area:
55.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1  

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