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537050-14-9 | 2-Bromo-1-(4-fluoro-3-(trifluoromethyl);phenyl);ethanone
CAS No: 537050-14-9 Catalog No: AG003LDZ MDL No:MFCD03094509
Product Description
Catalog Number:
AG003LDZ
Chemical Name:
2-Bromo-1-(4-fluoro-3-(trifluoromethyl);phenyl);ethanone
CAS Number:
537050-14-9
Molecular Formula:
C9H5BrF4O
Molecular Weight:
285.0330
MDL Number:
MFCD03094509
IUPAC Name:
2-bromo-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H5BrF4O/c10-4-8(15)5-1-2-7(11)6(3-5)9(12,13)14/h1-3H,4H2
InChI Key:
BUNOSKWLVXNWEH-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1ccc(c(c1)C(F)(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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