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160237-80-9 | Pyrimidine, 2-chloro-5-octyl-
CAS No: 160237-80-9 Catalog No: AG001RSF MDL No:
Product Description
Catalog Number:
AG001RSF
Chemical Name:
Pyrimidine, 2-chloro-5-octyl-
CAS Number:
160237-80-9
Molecular Formula:
C12H19ClN2
Molecular Weight:
226.7457
IUPAC Name:
2-chloro-5-octylpyrimidine
InChI:
InChI=1S/C12H19ClN2/c1-2-3-4-5-6-7-8-11-9-14-12(13)15-10-11/h9-10H,2-8H2,1H3
InChI Key:
PMJWHOKKOIBOPT-UHFFFAOYSA-N
SMILES:
CCCCCCCCc1cnc(nc1)Cl
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.124g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.748g/mol
Monoisotopic Mass:
226.124g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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