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149323-50-2 | Pyrimidine, 5-bromo-4-(4-methylphenyl)-
CAS No: 149323-50-2 Catalog No: AG001LJU MDL No:MFCD09800948
Product Description
Catalog Number:
AG001LJU
Chemical Name:
Pyrimidine, 5-bromo-4-(4-methylphenyl)-
CAS Number:
149323-50-2
Molecular Formula:
C11H9BrN2
Molecular Weight:
249.1066
MDL Number:
MFCD09800948
IUPAC Name:
5-bromo-4-(4-methylphenyl)pyrimidine
InChI:
InChI=1S/C11H9BrN2/c1-8-2-4-9(5-3-8)11-10(12)6-13-7-14-11/h2-7H,1H3
InChI Key:
ZVXXEMMIVLDQAH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ncncc1Br
Properties
Complexity:
178
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.995g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.111g/mol
Monoisotopic Mass:
247.995g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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