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202664-36-6 | Ethanone, 2-bromo-1-[2-fluoro-5-(trifluoromethyl)phenyl]-
CAS No: 202664-36-6 Catalog No: AG0028CQ MDL No:MFCD03094506
Product Description
Catalog Number:
AG0028CQ
Chemical Name:
Ethanone, 2-bromo-1-[2-fluoro-5-(trifluoromethyl)phenyl]-
CAS Number:
202664-36-6
Molecular Formula:
C9H5BrF4O
Molecular Weight:
285.0330
MDL Number:
MFCD03094506
IUPAC Name:
2-bromo-1-[2-fluoro-5-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H5BrF4O/c10-4-8(15)6-3-5(9(12,13)14)1-2-7(6)11/h1-3H,4H2
InChI Key:
LQPAQYQHUGXFED-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cc(ccc1F)C(F)(F)F
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.946g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.036g/mol
Monoisotopic Mass:
283.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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