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89221-28-3 | Pyrimidine, 2,4,6-trimethyl-5-phenyl-
CAS No: 89221-28-3 Catalog No: AG00440O MDL No:
Product Description
Catalog Number:
AG00440O
Chemical Name:
Pyrimidine, 2,4,6-trimethyl-5-phenyl-
CAS Number:
89221-28-3
Molecular Formula:
C13H14N2
Molecular Weight:
198.2637
IUPAC Name:
2,4,6-trimethyl-5-phenylpyrimidine
InChI:
InChI=1S/C13H14N2/c1-9-13(10(2)15-11(3)14-9)12-7-5-4-6-8-12/h4-8H,1-3H3
InChI Key:
WWPWJDHKCLPOKK-UHFFFAOYSA-N
SMILES:
Cc1nc(C)c(c(n1)C)c1ccccc1
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.116g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.269g/mol
Monoisotopic Mass:
198.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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