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175278-15-6 | Benzenethiol, 4-bromo-2-(trifluoromethoxy)-
CAS No: 175278-15-6 Catalog No: AG0020TG MDL No:MFCD00203474
Product Description
Catalog Number:
AG0020TG
Chemical Name:
Benzenethiol, 4-bromo-2-(trifluoromethoxy)-
CAS Number:
175278-15-6
Molecular Formula:
C7H4BrF3OS
Molecular Weight:
273.0703
MDL Number:
MFCD00203474
IUPAC Name:
4-bromo-2-(trifluoromethoxy)benzenethiol
InChI:
InChI=1S/C7H4BrF3OS/c8-4-1-2-6(13)5(3-4)12-7(9,10)11/h1-3,13H
InChI Key:
WWZNHDMEBZHFTK-UHFFFAOYSA-N
SMILES:
FC(Oc1cc(Br)ccc1S)(F)F
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.912g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
273.067g/mol
Monoisotopic Mass:
271.912g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
10.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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