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175334-69-7 | Ethanone, 2-bromo-1-[3-(2,4-dichlorophenyl)-5-isoxazolyl]-
CAS No: 175334-69-7 Catalog No: AG0020XA MDL No:MFCD00173932
Product Description
Catalog Number:
AG0020XA
Chemical Name:
Ethanone, 2-bromo-1-[3-(2,4-dichlorophenyl)-5-isoxazolyl]-
CAS Number:
175334-69-7
Molecular Formula:
C11H6BrCl2NO2
Molecular Weight:
334.9808
MDL Number:
MFCD00173932
IUPAC Name:
2-bromo-1-[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]ethanone
InChI:
InChI=1S/C11H6BrCl2NO2/c12-5-10(16)11-4-9(15-17-11)7-2-1-6(13)3-8(7)14/h1-4H,5H2
InChI Key:
WYJZTLHKOJBVSA-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1onc(c1)c1ccc(cc1Cl)Cl
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
332.896g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.978g/mol
Monoisotopic Mass:
332.896g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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