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Home > Bromides > 1369594-41-1
1369594-41-1 | Ethanone, 1-(4-bromo-2-fluoro-6-hydroxyphenyl)-
CAS No: 1369594-41-1 Catalog No: AG0012LD MDL No:MFCD22570395
Product Description
Catalog Number:
AG0012LD
Chemical Name:
Ethanone, 1-(4-bromo-2-fluoro-6-hydroxyphenyl)-
CAS Number:
1369594-41-1
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD22570395
IUPAC Name:
1-(4-bromo-2-fluoro-6-hydroxyphenyl)ethanone
InChI:
InChI=1S/C8H6BrFO2/c1-4(11)8-6(10)2-5(9)3-7(8)12/h2-3,12H,1H3
InChI Key:
XBMQVSSFLZUGNA-UHFFFAOYSA-N
SMILES:
Brc1cc(O)c(c(c1)F)C(=O)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.954g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.036g/mol
Monoisotopic Mass:
231.954g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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