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825628-52-2 | Propane, 1-bromo-2,3-bis[(trifluoromethyl)thio]-
CAS No: 825628-52-2 Catalog No: AG005DQP MDL No:
Product Description
Catalog Number:
AG005DQP
Chemical Name:
Propane, 1-bromo-2,3-bis[(trifluoromethyl)thio]-
CAS Number:
825628-52-2
Molecular Formula:
C5H5BrF6S2
Molecular Weight:
323.1176
IUPAC Name:
1-bromo-2,3-bis(trifluoromethylsulfanyl)propane
InChI:
InChI=1S/C5H5BrF6S2/c6-1-3(14-5(10,11)12)2-13-4(7,8)9/h3H,1-2H2
InChI Key:
OSXHHKLKJJPWFG-UHFFFAOYSA-N
SMILES:
BrCC(SC(F)(F)F)CSC(F)(F)F
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.892g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
323.109g/mol
Monoisotopic Mass:
321.892g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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