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

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

CAS No.:
76596-53-7
Catalog Number:
AG005JAV
Molecular Formula:
C5H4BrNO2
Molecular Weight:
189.9948
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Product Description
Catalog Number:
AG005JAV
Chemical Name:
Ethanone, 1-(3-bromo-5-isoxazolyl)-
CAS Number:
76596-53-7
Molecular Formula:
C5H4BrNO2
Molecular Weight:
189.9948
MDL Number:
MFCD18801045
IUPAC Name:
1-(3-bromo-1,2-oxazol-5-yl)ethanone
InChI:
InChI=1S/C5H4BrNO2/c1-3(8)4-2-5(6)7-9-4/h2H,1H3
InChI Key:
NMCSUHDGEHKCQH-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(no1)Br
Properties
Complexity:
128  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.943g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.996g/mol
Monoisotopic Mass:
188.943g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties