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1208075-10-8 | 4-Bromo-2-trifluoromethylbenzenethiol
CAS No: 1208075-10-8 Catalog No: AG01FCYG MDL No:MFCD12026125
Product Description
Catalog Number:
AG01FCYG
Chemical Name:
4-Bromo-2-trifluoromethylbenzenethiol
CAS Number:
1208075-10-8
Molecular Formula:
C7H4BrF3S
Molecular Weight:
257.0709
MDL Number:
MFCD12026125
IUPAC Name:
4-bromo-2-(trifluoromethyl)benzenethiol
InChI:
InChI=1S/C7H4BrF3S/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3,12H
InChI Key:
XBPGBNVNPXUGPS-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)C(F)(F)F)S
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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