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188747-28-6 | Benzamide, 3-bromo-N-(6-methyl-2-pyridinyl)-
CAS No: 188747-28-6 Catalog No: AG002H9E MDL No:
Product Description
Catalog Number:
AG002H9E
Chemical Name:
Benzamide, 3-bromo-N-(6-methyl-2-pyridinyl)-
CAS Number:
188747-28-6
Molecular Formula:
C13H11BrN2O
Molecular Weight:
291.1432
IUPAC Name:
3-bromo-N-(6-methylpyridin-2-yl)benzamide
InChI:
InChI=1S/C13H11BrN2O/c1-9-4-2-7-12(15-9)16-13(17)10-5-3-6-11(14)8-10/h2-8H,1H3,(H,15,16,17)
InChI Key:
BOCBDQIZNZCOPX-UHFFFAOYSA-N
SMILES:
Cc1cccc(n1)NC(=O)c1cccc(c1)Br
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.005g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
291.148g/mol
Monoisotopic Mass:
290.005g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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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