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57842-27-0 | Benzo[d][1,3]dithiol-1-ium tetrafluoroborate
CAS No: 57842-27-0 Catalog No: AG003DH4 MDL No:MFCD00070613
Product Description
Catalog Number:
AG003DH4
Chemical Name:
Benzo[d][1,3]dithiol-1-ium tetrafluoroborate
CAS Number:
57842-27-0
Molecular Formula:
C7H5BF4S2
Molecular Weight:
240.0492
MDL Number:
MFCD00070613
IUPAC Name:
1,3-benzodithiol-3-ium;tetrafluoroborate
InChI:
InChI=1S/C7H5S2.BF4/c1-2-4-7-6(3-1)8-5-9-7;2-1(3,4)5/h1-5H;/q+1;-1
InChI Key:
CUSWPJQKCZMDPY-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)[s+]cs2.F[B-](F)(F)F
Properties
Complexity:
110
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.986g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.041g/mol
Monoisotopic Mass:
239.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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