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844697-10-5 | Pyrimidine, 2-[4-[(6-bromohexyl)oxy]phenyl]-5-octyl-
CAS No: 844697-10-5 Catalog No: AG004S2W MDL No:
Product Description
Catalog Number:
AG004S2W
Chemical Name:
Pyrimidine, 2-[4-[(6-bromohexyl)oxy]phenyl]-5-octyl-
CAS Number:
844697-10-5
Molecular Formula:
C24H35BrN2O
Molecular Weight:
447.4515
IUPAC Name:
2-[4-(6-bromohexoxy)phenyl]-5-octylpyrimidine
InChI:
InChI=1S/C24H35BrN2O/c1-2-3-4-5-6-9-12-21-19-26-24(27-20-21)22-13-15-23(16-14-22)28-18-11-8-7-10-17-25/h13-16,19-20H,2-12,17-18H2,1H3
InChI Key:
KUWQUGZBUYLFKV-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cnc(nc1)c1ccc(cc1)OCCCCCCBr
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
446.193g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.461g/mol
Monoisotopic Mass:
446.193g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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