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116511-97-8 | Ethanone, 2-bromo-1-(2,3,4,6-tetramethoxyphenyl)-
CAS No: 116511-97-8 Catalog No: AG000CO0 MDL No:
Product Description
Catalog Number:
AG000CO0
Chemical Name:
Ethanone, 2-bromo-1-(2,3,4,6-tetramethoxyphenyl)-
CAS Number:
116511-97-8
Molecular Formula:
C12H15BrO5
Molecular Weight:
319.1485
IUPAC Name:
2-bromo-1-(2,3,4,6-tetramethoxyphenyl)ethanone
InChI:
InChI=1S/C12H15BrO5/c1-15-8-5-9(16-2)11(17-3)12(18-4)10(8)7(14)6-13/h5H,6H2,1-4H3
InChI Key:
RUJXYNQQYXLIAF-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1c(OC)cc(c(c1OC)OC)OC
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.01g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
319.151g/mol
Monoisotopic Mass:
318.01g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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