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113509-22-1

113509-22-1 | 1,3-Dithiolane, 2-(2-bromophenyl)-

CAS No: 113509-22-1 Catalog No: AG0008UN MDL No:

Product Description

Catalog Number:
AG0008UN
Chemical Name:
1,3-Dithiolane, 2-(2-bromophenyl)-
CAS Number:
113509-22-1
Molecular Formula:
C9H9BrS2
Molecular Weight:
261.2018
IUPAC Name:
2-(2-bromophenyl)-1,3-dithiolane
InChI:
InChI=1S/C9H9BrS2/c10-8-4-2-1-3-7(8)9-11-5-6-12-9/h1-4,9H,5-6H2
InChI Key:
HQOUJFQRGCDKRL-UHFFFAOYSA-N
SMILES:
Brc1ccccc1C1SCCS1

Properties

Complexity:
146  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.933g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.195g/mol
Monoisotopic Mass:
259.933g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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