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131699-43-9 | Ethanone, 1-(5-bromo-4-butoxy-2-hydroxyphenyl)-
CAS No: 131699-43-9 Catalog No: AG000ZL8 MDL No:
Product Description
Catalog Number:
AG000ZL8
Chemical Name:
Ethanone, 1-(5-bromo-4-butoxy-2-hydroxyphenyl)-
CAS Number:
131699-43-9
Molecular Formula:
C12H15BrO3
Molecular Weight:
287.1497
IUPAC Name:
1-(5-bromo-4-butoxy-2-hydroxyphenyl)ethanone
InChI:
InChI=1S/C12H15BrO3/c1-3-4-5-16-12-7-11(15)9(8(2)14)6-10(12)13/h6-7,15H,3-5H2,1-2H3
InChI Key:
XOGFVHUDTDLWHY-UHFFFAOYSA-N
SMILES:
CCCCOc1cc(O)c(cc1Br)C(=O)C
Properties
Complexity:
232
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.02g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.153g/mol
Monoisotopic Mass:
286.02g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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