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18064-88-5 | 2-Bromo-1-(2,4-dimethoxy-6-hydroxyphenyl)ethanone
CAS No: 18064-88-5 Catalog No: AG01F9D0 MDL No:
Product Description
Catalog Number:
AG01F9D0
Chemical Name:
2-Bromo-1-(2,4-dimethoxy-6-hydroxyphenyl)ethanone
CAS Number:
18064-88-5
Molecular Formula:
C10H11BrO4
Molecular Weight:
275.0959
IUPAC Name:
2-bromo-1-(2-hydroxy-4,6-dimethoxyphenyl)ethanone
InChI:
InChI=1S/C10H11BrO4/c1-14-6-3-7(12)10(8(13)5-11)9(4-6)15-2/h3-4,12H,5H2,1-2H3
InChI Key:
PVQORRKQECTEGW-UHFFFAOYSA-N
SMILES:
COc1cc(O)c(c(c1)OC)C(=O)CBr
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.984g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
275.098g/mol
Monoisotopic Mass:
273.984g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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