Home Halogens Ethanone, 2-bromo-1-(3-bromo-5-isoxazolyl)-

Ethanone, 2-bromo-1-(3-bromo-5-isoxazolyl)-

CAS No.:
76596-54-8
Catalog Number:
AG005B18
Molecular Formula:
C5H3Br2NO2
Molecular Weight:
268.8908
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Product Description
Catalog Number:
AG005B18
Chemical Name:
Ethanone, 2-bromo-1-(3-bromo-5-isoxazolyl)-
CAS Number:
76596-54-8
Molecular Formula:
C5H3Br2NO2
Molecular Weight:
268.8908
MDL Number:
MFCD30593065
IUPAC Name:
2-bromo-1-(3-bromo-1,2-oxazol-5-yl)ethanone
InChI:
InChI=1S/C5H3Br2NO2/c6-2-3(9)4-1-5(7)8-10-4/h1H,2H2
InChI Key:
ZIEZUMAWBZSIDK-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1onc(c1)Br
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.851g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.892g/mol
Monoisotopic Mass:
266.853g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties