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18064-90-9 | Ethanone, 1-[2-(acetyloxy)-3-bromo-4,6-dimethoxyphenyl]-
CAS No: 18064-90-9 Catalog No: AG00227E MDL No:
Product Description
Catalog Number:
AG00227E
Chemical Name:
Ethanone, 1-[2-(acetyloxy)-3-bromo-4,6-dimethoxyphenyl]-
CAS Number:
18064-90-9
Molecular Formula:
C12H13BrO5
Molecular Weight:
317.1326
IUPAC Name:
(2-acetyl-6-bromo-3,5-dimethoxyphenyl) acetate
InChI:
InChI=1S/C12H13BrO5/c1-6(14)10-8(16-3)5-9(17-4)11(13)12(10)18-7(2)15/h5H,1-4H3
InChI Key:
VHTXSGRSUCSZSO-UHFFFAOYSA-N
SMILES:
COc1cc(OC)c(c(c1Br)OC(=O)C)C(=O)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.995g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.135g/mol
Monoisotopic Mass:
315.995g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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