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89221-31-8 | Pyrimidine, 5-(4-chlorophenyl)-2,4,6-trimethyl-
CAS No: 89221-31-8 Catalog No: AG0088P0 MDL No:
Product Description
Catalog Number:
AG0088P0
Chemical Name:
Pyrimidine, 5-(4-chlorophenyl)-2,4,6-trimethyl-
CAS Number:
89221-31-8
Molecular Formula:
C13H13ClN2
Molecular Weight:
232.7087
IUPAC Name:
5-(4-chlorophenyl)-2,4,6-trimethylpyrimidine
InChI:
InChI=1S/C13H13ClN2/c1-8-13(9(2)16-10(3)15-8)11-4-6-12(14)7-5-11/h4-7H,1-3H3
InChI Key:
CVWGDGRLWAHMBV-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1c(C)nc(nc1C)C
Properties
Complexity:
214
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.077g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.711g/mol
Monoisotopic Mass:
232.077g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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