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127588-23-2 | Pyrimidine, 5-chloro-2,4-dimethyl-6-phenyl-
CAS No: 127588-23-2 Catalog No: AG000X6K MDL No:
Product Description
Catalog Number:
AG000X6K
Chemical Name:
Pyrimidine, 5-chloro-2,4-dimethyl-6-phenyl-
CAS Number:
127588-23-2
Molecular Formula:
C12H11ClN2
Molecular Weight:
218.6821
IUPAC Name:
5-chloro-2,4-dimethyl-6-phenylpyrimidine
InChI:
InChI=1S/C12H11ClN2/c1-8-11(13)12(15-9(2)14-8)10-6-4-3-5-7-10/h3-7H,1-2H3
InChI Key:
WZLMGEJMJAUPSB-UHFFFAOYSA-N
SMILES:
Cc1nc(C)c(c(n1)c1ccccc1)Cl
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.061g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.684g/mol
Monoisotopic Mass:
218.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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