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14077-67-9 | Pyrimidine, 2,4,6-trichloro-5-pentyl-
CAS No: 14077-67-9 Catalog No: AG001CQZ MDL No:
Product Description
Catalog Number:
AG001CQZ
Chemical Name:
Pyrimidine, 2,4,6-trichloro-5-pentyl-
CAS Number:
14077-67-9
Molecular Formula:
C9H11Cl3N2
Molecular Weight:
253.5560
IUPAC Name:
2,4,6-trichloro-5-pentylpyrimidine
InChI:
InChI=1S/C9H11Cl3N2/c1-2-3-4-5-6-7(10)13-9(12)14-8(6)11/h2-5H2,1H3
InChI Key:
ODIFFIIRIFKTLN-UHFFFAOYSA-N
SMILES:
CCCCCc1c(Cl)nc(nc1Cl)Cl
NSC Number:
92497
Properties
Complexity:
156
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.999g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.551g/mol
Monoisotopic Mass:
251.999g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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