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59594-65-9 | 2-Bromo-4-trifluoromethylbenzenethiol
CAS No: 59594-65-9 Catalog No: AG01EWL4 MDL No:MFCD12026128
Product Description
Catalog Number:
AG01EWL4
Chemical Name:
2-Bromo-4-trifluoromethylbenzenethiol
CAS Number:
59594-65-9
Molecular Formula:
C7H4BrF3S
Molecular Weight:
257.0709
MDL Number:
MFCD12026128
IUPAC Name:
2-bromo-4-(trifluoromethyl)benzenethiol
InChI:
InChI=1S/C7H4BrF3S/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3,12H
InChI Key:
GTBJPCSVDHUDFU-UHFFFAOYSA-N
SMILES:
Sc1ccc(cc1Br)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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