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Home > Bromides > 1208076-96-3
1208076-96-3 | 2-Bromo-3,4,6-trifluorobenzenethiol
CAS No: 1208076-96-3 Catalog No: AG01FDTV MDL No:MFCD12026203
Product Description
Catalog Number:
AG01FDTV
Chemical Name:
2-Bromo-3,4,6-trifluorobenzenethiol
CAS Number:
1208076-96-3
Molecular Formula:
C6H2BrF3S
Molecular Weight:
243.0443
MDL Number:
MFCD12026203
IUPAC Name:
2-bromo-3,4,6-trifluorobenzenethiol
InChI:
InChI=1S/C6H2BrF3S/c7-4-5(10)2(8)1-3(9)6(4)11/h1,11H
InChI Key:
OTGHWSXBRMOMMW-UHFFFAOYSA-N
SMILES:
Fc1c(F)cc(c(c1Br)S)F
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.901g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.041g/mol
Monoisotopic Mass:
241.901g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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