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14731-14-7 | Ethanone, 2-bromo-1-(3-phenyl-5-isoxazolyl)-
CAS No: 14731-14-7 Catalog No: AG001ESE MDL No:MFCD00173898
Product Description
Catalog Number:
AG001ESE
Chemical Name:
Ethanone, 2-bromo-1-(3-phenyl-5-isoxazolyl)-
CAS Number:
14731-14-7
Molecular Formula:
C11H8BrNO2
Molecular Weight:
266.0907
MDL Number:
MFCD00173898
IUPAC Name:
2-bromo-1-(3-phenyl-1,2-oxazol-5-yl)ethanone
InChI:
InChI=1S/C11H8BrNO2/c12-7-10(14)11-6-9(13-15-11)8-4-2-1-3-5-8/h1-6H,7H2
InChI Key:
XTBXGZOVSCTNEC-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1onc(c1)c1ccccc1
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.974g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.094g/mol
Monoisotopic Mass:
264.974g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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