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97511-05-2 | 4-Bromodibenzothiophene
CAS No: 97511-05-2 Catalog No: AG003A9D MDL No:MFCD02683746
Product Description
Catalog Number:
AG003A9D
Chemical Name:
4-Bromodibenzothiophene
CAS Number:
97511-05-2
Molecular Formula:
C12H7BrS
Molecular Weight:
263.1530
MDL Number:
MFCD02683746
IUPAC Name:
4-bromodibenzothiophene
InChI:
InChI=1S/C12H7BrS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H
InChI Key:
GJXAVNQWIVUQOD-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1sc1c2cccc1
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.945g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.152g/mol
Monoisotopic Mass:
261.945g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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