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126581-65-5 | Ethanone, 2-bromo-1-(5-fluoro-2-hydroxyphenyl)-
CAS No: 126581-65-5 Catalog No: AG000SYX MDL No:MFCD03094564
Product Description
Catalog Number:
AG000SYX
Chemical Name:
Ethanone, 2-bromo-1-(5-fluoro-2-hydroxyphenyl)-
CAS Number:
126581-65-5
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD03094564
IUPAC Name:
2-bromo-1-(5-fluoro-2-hydroxyphenyl)ethanone
InChI:
InChI=1S/C8H6BrFO2/c9-4-8(12)6-3-5(10)1-2-7(6)11/h1-3,11H,4H2
InChI Key:
QFYYHGPQMZTLRB-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C(=O)CBr)F
Properties
Complexity:
174
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:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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