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16012-83-2 | Thianthrene, 1,2,3,4,6,7,8,9-octafluoro-
CAS No: 16012-83-2 Catalog No: AG001ROE MDL No:
Product Description
Catalog Number:
AG001ROE
Chemical Name:
Thianthrene, 1,2,3,4,6,7,8,9-octafluoro-
CAS Number:
16012-83-2
Molecular Formula:
C12F8S2
Molecular Weight:
360.2456
IUPAC Name:
1,2,3,4,6,7,8,9-octafluorothianthrene
InChI:
InChI=1S/C12F8S2/c13-1-2(14)6(18)10-9(5(1)17)21-11-7(19)3(15)4(16)8(20)12(11)22-10
InChI Key:
BCMGBEQPFANKSN-UHFFFAOYSA-N
SMILES:
Fc1c2Sc3c(Sc2c(c(c1F)F)F)c(F)c(c(c3F)F)F
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.931g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.239g/mol
Monoisotopic Mass:
359.931g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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