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90998-36-0 | Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)-
CAS No: 90998-36-0 Catalog No: AG006FRJ MDL No:
Product Description
Catalog Number:
AG006FRJ
Chemical Name:
Ethanone, 1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)-
CAS Number:
90998-36-0
Molecular Formula:
C17H15BrO5
Molecular Weight:
379.2020
IUPAC Name:
1-(1,3-benzodioxol-5-yl)-2-(2-bromo-4,5-dimethoxyphenyl)ethanone
InChI:
InChI=1S/C17H15BrO5/c1-20-15-7-11(12(18)8-16(15)21-2)5-13(19)10-3-4-14-17(6-10)23-9-22-14/h3-4,6-8H,5,9H2,1-2H3
InChI Key:
JMXIHWDJGRMAQC-UHFFFAOYSA-N
SMILES:
COc1cc(Br)c(cc1OC)CC(=O)c1ccc2c(c1)OCO2
NSC Number:
611191
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
378.01g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
379.206g/mol
Monoisotopic Mass:
378.01g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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