Home Halogens 1-(5-bromo-2-hydroxy-3-methylphenyl)ethanone

1-(5-bromo-2-hydroxy-3-methylphenyl)ethanone

CAS No.:
72422-80-1
Catalog Number:
AG00FG58
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
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Product Description
Catalog Number:
AG00FG58
Chemical Name:
1-(5-bromo-2-hydroxy-3-methylphenyl)ethanone
CAS Number:
72422-80-1
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD18294026
IUPAC Name:
1-(5-bromo-2-hydroxy-3-methylphenyl)ethanone
InChI:
InChI=1S/C9H9BrO2/c1-5-3-7(10)4-8(6(2)11)9(5)12/h3-4,12H,1-2H3
InChI Key:
FYCJGBWDWQDUPT-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c(c(c1)C(=O)C)O
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties