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36613-46-4 | 2-Bromophenyl trifluoroacetate
CAS No: 36613-46-4 Catalog No: AG01EVPU MDL No:
Product Description
Catalog Number:
AG01EVPU
Chemical Name:
2-Bromophenyl trifluoroacetate
CAS Number:
36613-46-4
Molecular Formula:
C8H4BrF3O2
Molecular Weight:
269.0154
IUPAC Name:
(2-bromophenyl) 2,2,2-trifluoroacetate
InChI:
InChI=1S/C8H4BrF3O2/c9-5-3-1-2-4-6(5)14-7(13)8(10,11)12/h1-4H
InChI Key:
JUAUYDPZUJOURQ-UHFFFAOYSA-N
SMILES:
O=C(C(F)(F)F)Oc1ccccc1Br
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:
3.3
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