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174720-38-8 | Pyrimidine, 2-(4-bromophenyl)-5-methyl-
CAS No: 174720-38-8 Catalog No: AG001ZWZ MDL No:MFCD01825850
Product Description
Catalog Number:
AG001ZWZ
Chemical Name:
Pyrimidine, 2-(4-bromophenyl)-5-methyl-
CAS Number:
174720-38-8
Molecular Formula:
C11H9BrN2
Molecular Weight:
249.1066
MDL Number:
MFCD01825850
IUPAC Name:
2-(4-bromophenyl)-5-methylpyrimidine
InChI:
InChI=1S/C11H9BrN2/c1-8-6-13-11(14-7-8)9-2-4-10(12)5-3-9/h2-7H,1H3
InChI Key:
BSUNLHHGZSFMOP-UHFFFAOYSA-N
SMILES:
Cc1cnc(nc1)c1ccc(cc1)Br
Properties
Complexity:
170
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
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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