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103962-10-3 | 2-Bromo-1-(4-(trifluoromethoxy)phenyl)ethanone
CAS No: 103962-10-3 Catalog No: AG003KB7 MDL No:MFCD00052333
Product Description
Catalog Number:
AG003KB7
Chemical Name:
2-Bromo-1-(4-(trifluoromethoxy)phenyl)ethanone
CAS Number:
103962-10-3
Molecular Formula:
C9H6BrF3O2
Molecular Weight:
283.0419
MDL Number:
MFCD00052333
IUPAC Name:
2-bromo-1-[4-(trifluoromethoxy)phenyl]ethanone
InChI:
InChI=1S/C9H6BrF3O2/c10-5-8(14)6-1-3-7(4-2-6)15-9(11,12)13/h1-4H,5H2
InChI Key:
AOAGGWLQIILIIV-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.95g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.044g/mol
Monoisotopic Mass:
281.95g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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