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1208076-75-8 | 3-Bromo-4-trifluoromethoxybenzenethiol
CAS No: 1208076-75-8 Catalog No: AG01FCK9 MDL No:MFCD12026152
Product Description
Catalog Number:
AG01FCK9
Chemical Name:
3-Bromo-4-trifluoromethoxybenzenethiol
CAS Number:
1208076-75-8
Molecular Formula:
C7H4BrF3OS
Molecular Weight:
273.0703
MDL Number:
MFCD12026152
IUPAC Name:
3-bromo-4-(trifluoromethoxy)benzenethiol
InChI:
InChI=1S/C7H4BrF3OS/c8-5-3-4(13)1-2-6(5)12-7(9,10)11/h1-3,13H
InChI Key:
IJWPUOUJWAWQFQ-UHFFFAOYSA-N
SMILES:
Sc1ccc(c(c1)Br)OC(F)(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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