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14625-58-2 | Benzoxazole, 2-(3-methylphenyl)-
CAS No: 14625-58-2 Catalog No: AG001DTR MDL No:
Product Description
Catalog Number:
AG001DTR
Chemical Name:
Benzoxazole, 2-(3-methylphenyl)-
CAS Number:
14625-58-2
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
IUPAC Name:
2-(3-methylphenyl)-1,3-benzoxazole
InChI:
InChI=1S/C14H11NO/c1-10-5-4-6-11(9-10)14-15-12-7-2-3-8-13(12)16-14/h2-9H,1H3
InChI Key:
PNVRWCOOQDYUJY-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1nc2c(o1)cccc2
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.084g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.248g/mol
Monoisotopic Mass:
209.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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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