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133346-85-7 | Dibenzothiophene, trichloro-
CAS No: 133346-85-7 Catalog No: AG0014PP MDL No:
Product Description
Catalog Number:
AG0014PP
Chemical Name:
Dibenzothiophene, trichloro-
CAS Number:
133346-85-7
Molecular Formula:
C12H5Cl3S
Molecular Weight:
287.5921
IUPAC Name:
1,2,3-trichlorodibenzothiophene
InChI:
InChI=1S/C12H5Cl3S/c13-7-5-9-10(12(15)11(7)14)6-3-1-2-4-8(6)16-9/h1-5H
InChI Key:
SOUNRJSGPVUHBX-UHFFFAOYSA-N
SMILES:
Clc1cc2sc3c(c2c(c1Cl)Cl)cccc3
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.918g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.582g/mol
Monoisotopic Mass:
285.918g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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