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116703-73-2 | Benzene, 1-(1-bromo-2,2,2-trifluoroethyl)-4-(methylthio)-
CAS No: 116703-73-2 Catalog No: AG000D0F MDL No:
Product Description
Catalog Number:
AG000D0F
Chemical Name:
Benzene, 1-(1-bromo-2,2,2-trifluoroethyl)-4-(methylthio)-
CAS Number:
116703-73-2
Molecular Formula:
C9H8BrF3S
Molecular Weight:
285.1240
IUPAC Name:
1-(1-bromo-2,2,2-trifluoroethyl)-4-methylsulfanylbenzene
InChI:
InChI=1S/C9H8BrF3S/c1-14-7-4-2-6(3-5-7)8(10)9(11,12)13/h2-5,8H,1H3
InChI Key:
UWECDOVARHPPSZ-UHFFFAOYSA-N
SMILES:
CSc1ccc(cc1)C(C(F)(F)F)Br
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.948g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.122g/mol
Monoisotopic Mass:
283.948g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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