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14077-70-4 | Pyrimidine, 2,4,6-trichloro-5-hexyl-
CAS No: 14077-70-4 Catalog No: AG001CQX MDL No:
Product Description
Catalog Number:
AG001CQX
Chemical Name:
Pyrimidine, 2,4,6-trichloro-5-hexyl-
CAS Number:
14077-70-4
Molecular Formula:
C10H13Cl3N2
Molecular Weight:
267.5826
IUPAC Name:
2,4,6-trichloro-5-hexylpyrimidine
InChI:
InChI=1S/C10H13Cl3N2/c1-2-3-4-5-6-7-8(11)14-10(13)15-9(7)12/h2-6H2,1H3
InChI Key:
MBDPAJFXCANJIP-UHFFFAOYSA-N
SMILES:
CCCCCCc1c(Cl)nc(nc1Cl)Cl
NSC Number:
92502
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.014g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
267.578g/mol
Monoisotopic Mass:
266.014g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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