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146533-43-9 | Pyrimidine, 4,6-dichloro-5-(4-methylphenyl)-
CAS No: 146533-43-9 Catalog No: AG001E4F MDL No:
Product Description
Catalog Number:
AG001E4F
Chemical Name:
Pyrimidine, 4,6-dichloro-5-(4-methylphenyl)-
CAS Number:
146533-43-9
Molecular Formula:
C11H8Cl2N2
Molecular Weight:
239.1006
IUPAC Name:
4,6-dichloro-5-(4-methylphenyl)pyrimidine
InChI:
InChI=1S/C11H8Cl2N2/c1-7-2-4-8(5-3-7)9-10(12)14-6-15-11(9)13/h2-6H,1H3
InChI Key:
XCIYCYPBRIGCOY-UHFFFAOYSA-N
SMILES:
Clc1ncnc(c1c1ccc(cc1)C)Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.006g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.099g/mol
Monoisotopic Mass:
238.006g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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