Home Halogens 2-bromo-1-(3-hydroxy-4-methoxyphenyl)ethan-1-one

2-bromo-1-(3-hydroxy-4-methoxyphenyl)ethan-1-one

CAS No.:
90971-90-7
Catalog Number:
AG01DWU1
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
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Product Description
Catalog Number:
AG01DWU1
Chemical Name:
2-bromo-1-(3-hydroxy-4-methoxyphenyl)ethan-1-one
CAS Number:
90971-90-7
Molecular Formula:
C9H9BrO3
Molecular Weight:
245.0700
MDL Number:
MFCD25968783
IUPAC Name:
2-bromo-1-(3-hydroxy-4-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H9BrO3/c1-13-9-3-2-6(4-7(9)11)8(12)5-10/h2-4,11H,5H2,1H3
InChI Key:
CPXKTRDFYCGOSI-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(c(c1)O)OC
Properties
Complexity:
184  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.974g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
245.072g/mol
Monoisotopic Mass:
243.974g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties