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88945-25-9 | Pyrimidine, 4,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-5-pentyl-
CAS No: 88945-25-9 Catalog No: AG0047JH MDL No:
Product Description
Catalog Number:
AG0047JH
Chemical Name:
Pyrimidine, 4,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-5-pentyl-
CAS Number:
88945-25-9
Molecular Formula:
C18H22Cl2N2O
Molecular Weight:
353.2861
IUPAC Name:
4,6-dichloro-2-[2-(4-methoxyphenyl)ethyl]-5-pentylpyrimidine
InChI:
InChI=1S/C18H22Cl2N2O/c1-3-4-5-6-15-17(19)21-16(22-18(15)20)12-9-13-7-10-14(23-2)11-8-13/h7-8,10-11H,3-6,9,12H2,1-2H3
InChI Key:
AGYKPOVHBNUVDH-UHFFFAOYSA-N
SMILES:
CCCCCc1c(Cl)nc(nc1Cl)CCc1ccc(cc1)OC
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
352.111g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
353.287g/mol
Monoisotopic Mass:
352.111g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
35A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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