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Ethyl 5-amino-4-phenylisoxazole-3-carboxylate

CAS No.:
53983-15-6
Catalog Number:
AG00DL3H
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$274
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Product Description
Catalog Number:
AG00DL3H
Chemical Name:
Ethyl 5-amino-4-phenylisoxazole-3-carboxylate
CAS Number:
53983-15-6
Molecular Formula:
C12H12N2O3
Molecular Weight:
232.2353
MDL Number:
MFCD06199347
IUPAC Name:
ethyl 5-amino-4-phenyl-1,2-oxazole-3-carboxylate
InChI:
InChI=1S/C12H12N2O3/c1-2-16-12(15)10-9(11(13)17-14-10)8-6-4-3-5-7-8/h3-7H,2,13H2,1H3
InChI Key:
VSCAOMUSYLNUIK-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1noc(c1c1ccccc1)N
Properties
Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.085g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
232.239g/mol
Monoisotopic Mass:
232.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
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