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1197-30-4 | Pyrimidine, 4,5,6-trichloro-2-ethyl-
CAS No: 1197-30-4 Catalog No: AG000PGS MDL No:
Product Description
Catalog Number:
AG000PGS
Chemical Name:
Pyrimidine, 4,5,6-trichloro-2-ethyl-
CAS Number:
1197-30-4
Molecular Formula:
C6H5Cl3N2
Molecular Weight:
211.4763
IUPAC Name:
4,5,6-trichloro-2-ethylpyrimidine
InChI:
InChI=1S/C6H5Cl3N2/c1-2-3-10-5(8)4(7)6(9)11-3/h2H2,1H3
InChI Key:
CNDMVKVJWXVNBW-UHFFFAOYSA-N
SMILES:
CCc1nc(Cl)c(c(n1)Cl)Cl
NSC Number:
67798
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.952g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.47g/mol
Monoisotopic Mass:
209.952g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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