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59935-55-6 | 3-Bromophenyl trifluoroacetate
CAS No: 59935-55-6 Catalog No: AG01EWLK MDL No:MFCD28396338
Product Description
Catalog Number:
AG01EWLK
Chemical Name:
3-Bromophenyl trifluoroacetate
CAS Number:
59935-55-6
Molecular Formula:
C8H4BrF3O2
Molecular Weight:
269.0154
MDL Number:
MFCD28396338
IUPAC Name:
(3-bromophenyl) 2,2,2-trifluoroacetate
InChI:
InChI=1S/C8H4BrF3O2/c9-5-2-1-3-6(4-5)14-7(13)8(10,11)12/h1-4H
InChI Key:
XGJZQIQJNKROJC-UHFFFAOYSA-N
SMILES:
Brc1cccc(c1)OC(=O)C(F)(F)F
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.935g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.017g/mol
Monoisotopic Mass:
267.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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