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1780-42-3 | Pyrimidine, 2,4,6-trichloro-5-(1-methylethyl)-
CAS No: 1780-42-3 Catalog No: AG0025PN MDL No:
Product Description
Catalog Number:
AG0025PN
Chemical Name:
Pyrimidine, 2,4,6-trichloro-5-(1-methylethyl)-
CAS Number:
1780-42-3
Molecular Formula:
C7H7Cl3N2
Molecular Weight:
225.5029
IUPAC Name:
2,4,6-trichloro-5-propan-2-ylpyrimidine
InChI:
InChI=1S/C7H7Cl3N2/c1-3(2)4-5(8)11-7(10)12-6(4)9/h3H,1-2H3
InChI Key:
YVPSTWNQGHUOJP-UHFFFAOYSA-N
SMILES:
CC(c1c(Cl)nc(nc1Cl)Cl)C
NSC Number:
66904
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.967g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.497g/mol
Monoisotopic Mass:
223.967g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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