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157014-35-2 | Ethanone, 2-bromo-1-(2-fluoro-4-methoxyphenyl)-
CAS No: 157014-35-2 Catalog No: AG001P5B MDL No:MFCD03730100
Product Description
Catalog Number:
AG001P5B
Chemical Name:
Ethanone, 2-bromo-1-(2-fluoro-4-methoxyphenyl)-
CAS Number:
157014-35-2
Molecular Formula:
C9H8BrFO2
Molecular Weight:
247.0610
MDL Number:
MFCD03730100
IUPAC Name:
2-bromo-1-(2-fluoro-4-methoxyphenyl)ethanone
InChI:
InChI=1S/C9H8BrFO2/c1-13-6-2-3-7(8(11)4-6)9(12)5-10/h2-4H,5H2,1H3
InChI Key:
OKLFPKDKQYVRNJ-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1F)OC
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.969g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.063g/mol
Monoisotopic Mass:
245.969g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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