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113722-79-5

113722-79-5 | Pyrimidine, 5-decyl-2-[4-[(2-fluorodecyl)oxy]phenyl]-

CAS No: 113722-79-5 Catalog No: AG0009GA MDL No:

Product Description

Catalog Number:
AG0009GA
Chemical Name:
Pyrimidine, 5-decyl-2-[4-[(2-fluorodecyl)oxy]phenyl]-
CAS Number:
113722-79-5
Molecular Formula:
C30H47FN2O
Molecular Weight:
470.7054
IUPAC Name:
5-decyl-2-[4-(2-fluorodecoxy)phenyl]pyrimidine
InChI:
InChI=1S/C30H47FN2O/c1-3-5-7-9-11-12-13-15-17-26-23-32-30(33-24-26)27-19-21-29(22-20-27)34-25-28(31)18-16-14-10-8-6-4-2/h19-24,28H,3-18,25H2,1-2H3
InChI Key:
PCZMPMVKEAGBQN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1cnc(nc1)c1ccc(cc1)OCC(CCCCCCCC)F

Properties

Complexity:
447  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
470.367g/mol
Formal Charge:
0
Heavy Atom Count:
34  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
470.717g/mol
Monoisotopic Mass:
470.367g/mol
Rotatable Bond Count:
20  
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
11.3  

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