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123184-19-0 | Ethanone, 2-bromo-1-(2,6-dimethoxyphenyl)-
CAS No: 123184-19-0 Catalog No: AG000K4O MDL No:MFCD03425183
Product Description
Catalog Number:
AG000K4O
Chemical Name:
Ethanone, 2-bromo-1-(2,6-dimethoxyphenyl)-
CAS Number:
123184-19-0
Molecular Formula:
C10H11BrO3
Molecular Weight:
259.0965
MDL Number:
MFCD03425183
IUPAC Name:
2-bromo-1-(2,6-dimethoxyphenyl)ethanone
InChI:
InChI=1S/C10H11BrO3/c1-13-8-4-3-5-9(14-2)10(8)7(12)6-11/h3-5H,6H2,1-2H3
InChI Key:
NCSDTJAJQKENMG-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1c(OC)cccc1OC
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.989g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.099g/mol
Monoisotopic Mass:
257.989g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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