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Home > Bromides > 1462968-51-9
1462968-51-9 | 5-Bromo-2-(trifluoromethyl)benzenethiol
CAS No: 1462968-51-9 Catalog No: AG01FCFM MDL No:MFCD26792627
Product Description
Catalog Number:
AG01FCFM
Chemical Name:
5-Bromo-2-(trifluoromethyl)benzenethiol
CAS Number:
1462968-51-9
Molecular Formula:
C7H4BrF3S
Molecular Weight:
257.0709
MDL Number:
MFCD26792627
IUPAC Name:
5-bromo-2-(trifluoromethyl)benzenethiol
InChI:
InChI=1S/C7H4BrF3S/c8-4-1-2-5(6(12)3-4)7(9,10)11/h1-3,12H
InChI Key:
PFRQIJQMWFOBTR-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)S)C(F)(F)F
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.917g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.068g/mol
Monoisotopic Mass:
255.917g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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