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1375065-02-3 | Ethanone, 1-(2,4,6-trichloro-5-pyrimidinyl)-
CAS No: 1375065-02-3 Catalog No: AG0013EN MDL No:
Product Description
Catalog Number:
AG0013EN
Chemical Name:
Ethanone, 1-(2,4,6-trichloro-5-pyrimidinyl)-
CAS Number:
1375065-02-3
Molecular Formula:
C6H3Cl3N2O
Molecular Weight:
225.4598
IUPAC Name:
1-(2,4,6-trichloropyrimidin-5-yl)ethanone
InChI:
InChI=1S/C6H3Cl3N2O/c1-2(12)3-4(7)10-6(9)11-5(3)8/h1H3
InChI Key:
WSYWQFNIYCGPFK-UHFFFAOYSA-N
SMILES:
CC(=O)c1c(Cl)nc(nc1Cl)Cl
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.931g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.453g/mol
Monoisotopic Mass:
223.931g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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