Home Halogens 2-Propanone, 1-(3-bromo-4-hydroxyphenyl)-

2-Propanone, 1-(3-bromo-4-hydroxyphenyl)-

CAS No.:
655237-87-9
Catalog Number:
AG00IBI5
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
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Product Description
Catalog Number:
AG00IBI5
Chemical Name:
2-Propanone, 1-(3-bromo-4-hydroxyphenyl)-
CAS Number:
655237-87-9
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD04117998
IUPAC Name:
1-(3-bromo-4-hydroxyphenyl)propan-2-one
InChI:
InChI=1S/C9H9BrO2/c1-6(11)4-7-2-3-9(12)8(10)5-7/h2-3,5,12H,4H2,1H3
InChI Key:
BGMOZOKYYWZPRF-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1ccc(c(c1)Br)O
Properties
Complexity:
170  
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:
2  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties