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Home > Fluorides > 119736-61-7
119736-61-7 | Pyrimidine, 2-[2-fluoro-4-(nonyloxy)phenyl]-5-[4-(pentyloxy)phenyl]-
CAS No: 119736-61-7 Catalog No: AG000PLA MDL No:
Product Description
Catalog Number:
AG000PLA
Chemical Name:
Pyrimidine, 2-[2-fluoro-4-(nonyloxy)phenyl]-5-[4-(pentyloxy)phenyl]-
CAS Number:
119736-61-7
Molecular Formula:
C30H39FN2O2
Molecular Weight:
478.6413
IUPAC Name:
2-(2-fluoro-4-nonoxyphenyl)-5-(4-pentoxyphenyl)pyrimidine
InChI:
InChI=1S/C30H39FN2O2/c1-3-5-7-8-9-10-12-20-35-27-17-18-28(29(31)21-27)30-32-22-25(23-33-30)24-13-15-26(16-14-24)34-19-11-6-4-2/h13-18,21-23H,3-12,19-20H2,1-2H3
InChI Key:
RACBEILHXNQMNZ-UHFFFAOYSA-N
SMILES:
CCCCCCCCCOc1ccc(c(c1)F)c1ncc(cn1)c1ccc(cc1)OCCCCC
Properties
Complexity:
521
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
478.3g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.652g/mol
Monoisotopic Mass:
478.3g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
44.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.3
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