Home Halogens 2-bromo-1-(4-butoxyphenyl)ethan-1-one

2-bromo-1-(4-butoxyphenyl)ethan-1-one

CAS No.:
53704-75-9
Catalog Number:
AG01B9M5
Molecular Formula:
C12H15BrO2
Molecular Weight:
271.1503
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Product Description
Catalog Number:
AG01B9M5
Chemical Name:
2-bromo-1-(4-butoxyphenyl)ethan-1-one
CAS Number:
53704-75-9
Molecular Formula:
C12H15BrO2
Molecular Weight:
271.1503
MDL Number:
MFCD00642505
IUPAC Name:
2-bromo-1-(4-butoxyphenyl)ethanone
InChI:
InChI=1S/C12H15BrO2/c1-2-3-8-15-11-6-4-10(5-7-11)12(14)9-13/h4-7H,2-3,8-9H2,1H3
InChI Key:
MIODISVXSASJOK-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)C(=O)CBr
Properties
Complexity:
186  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.026g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
271.154g/mol
Monoisotopic Mass:
270.026g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties