Home Halogens methyl 3-(3-bromophenyl)-1,2-oxazole-5-carboxylate

methyl 3-(3-bromophenyl)-1,2-oxazole-5-carboxylate

CAS No.:
377059-68-2
Catalog Number:
AG01B2DN
Molecular Formula:
C11H8BrNO3
Molecular Weight:
282.0901
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Product Description
Catalog Number:
AG01B2DN
Chemical Name:
methyl 3-(3-bromophenyl)-1,2-oxazole-5-carboxylate
CAS Number:
377059-68-2
Molecular Formula:
C11H8BrNO3
Molecular Weight:
282.0901
MDL Number:
MFCD02982807
IUPAC Name:
methyl 3-(3-bromophenyl)-1,2-oxazole-5-carboxylate
InChI:
InChI=1S/C11H8BrNO3/c1-15-11(14)10-6-9(13-16-10)7-3-2-4-8(12)5-7/h2-6H,1H3
InChI Key:
ULDKSOMTGPDKLB-UHFFFAOYSA-N
SMILES:
COC(=O)c1onc(c1)c1cccc(c1)Br
Properties
Complexity:
262  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.969g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.093g/mol
Monoisotopic Mass:
280.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52.3A^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
Properties