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16740-73-1 | Ethanone, 1-(5-bromo-2-methoxyphenyl)-
CAS No: 16740-73-1 Catalog No: AG001XCT MDL No:MFCD03789141
Product Description
Catalog Number:
AG001XCT
Chemical Name:
Ethanone, 1-(5-bromo-2-methoxyphenyl)-
CAS Number:
16740-73-1
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD03789141
IUPAC Name:
1-(5-bromo-2-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H9BrO2/c1-6(11)8-5-7(10)3-4-9(8)12-2/h3-5H,1-2H3
InChI Key:
GLKBPFOSTPLEKE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1C(=O)C)Br
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:
0
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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