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22439-61-8

22439-61-8 | 2-Bromodibenzothiophene

CAS No: 22439-61-8 Catalog No: AG0037SL MDL No:MFCD00089285

Product Description

Catalog Number:
AG0037SL
Chemical Name:
2-Bromodibenzothiophene
CAS Number:
22439-61-8
Molecular Formula:
C12H7BrS
Molecular Weight:
263.1530
MDL Number:
MFCD00089285
IUPAC Name:
2-bromodibenzothiophene
InChI:
InChI=1S/C12H7BrS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
InChI Key:
IJICRIUYZZESMW-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)c1ccccc1s2
NSC Number:
172586

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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