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18064-89-6 | Ethanone, 1-(3-bromo-2-hydroxy-4,6-dimethoxyphenyl)-
CAS No: 18064-89-6 Catalog No: AG00227F MDL No:
Product Description
Catalog Number:
AG00227F
Chemical Name:
Ethanone, 1-(3-bromo-2-hydroxy-4,6-dimethoxyphenyl)-
CAS Number:
18064-89-6
Molecular Formula:
C10H11BrO4
Molecular Weight:
275.0959
IUPAC Name:
1-(3-bromo-2-hydroxy-4,6-dimethoxyphenyl)ethanone
InChI:
InChI=1S/C10H11BrO4/c1-5(12)8-6(14-2)4-7(15-3)9(11)10(8)13/h4,13H,1-3H3
InChI Key:
ONBWYQYLBKAJTM-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1C(=O)C)O)Br
Properties
Complexity:
234
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:
3
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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