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59049-84-2 | 2，2-m-pheylene-bis-benzoxazol
CAS No: 59049-84-2 Catalog No: AG00EE8V MDL No:MFCD00382603
Product Description
Catalog Number:
AG00EE8V
Chemical Name:
2，2-m-pheylene-bis-benzoxazol
CAS Number:
59049-84-2
Molecular Formula:
C20H12N2O2
Molecular Weight:
312.3215
MDL Number:
MFCD00382603
IUPAC Name:
2-[3-(1,3-benzoxazol-2-yl)phenyl]-1,3-benzoxazole
InChI:
InChI=1S/C20H12N2O2/c1-3-10-17-15(8-1)21-19(23-17)13-6-5-7-14(12-13)20-22-16-9-2-4-11-18(16)24-20/h1-12H
InChI Key:
RYDGJSHONGAQOS-UHFFFAOYSA-N
SMILES:
c1cc(cc(c1)c1nc2c(o1)cccc2)c1nc2c(o1)cccc2
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.09g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.328g/mol
Monoisotopic Mass:
312.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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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