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885-34-7 | 5-BROMO-3-PHENYL-2,1-BENZISOXAZOLE
CAS No: 885-34-7 Catalog No: AG0045PM MDL No:
Product Description
Catalog Number:
AG0045PM
Chemical Name:
5-BROMO-3-PHENYL-2,1-BENZISOXAZOLE
CAS Number:
885-34-7
Molecular Formula:
C13H8BrNO
Molecular Weight:
274.1127
IUPAC Name:
5-bromo-3-phenyl-2,1-benzoxazole
InChI:
InChI=1S/C13H8BrNO/c14-10-6-7-12-11(8-10)13(16-15-12)9-4-2-1-3-5-9/h1-8H
InChI Key:
HKEVIXPPTCEYEW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c(on2)c1ccccc1
NSC Number:
405895
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.979g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.117g/mol
Monoisotopic Mass:
272.979g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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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