Home Halogens 1-benzylsulfanyl-3-bromo-2-chlorobenzene

1-benzylsulfanyl-3-bromo-2-chlorobenzene

CAS No.:
1182728-20-6
Catalog Number:
AG01DJRP
Molecular Formula:
C13H10BrClS
Molecular Weight:
313.6405
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Product Description
Catalog Number:
AG01DJRP
Chemical Name:
1-benzylsulfanyl-3-bromo-2-chlorobenzene
CAS Number:
1182728-20-6
Molecular Formula:
C13H10BrClS
Molecular Weight:
313.6405
MDL Number:
MFCD27991903
IUPAC Name:
1-benzylsulfanyl-3-bromo-2-chlorobenzene
InChI:
InChI=1S/C13H10BrClS/c14-11-7-4-8-12(13(11)15)16-9-10-5-2-1-3-6-10/h1-8H,9H2
InChI Key:
DLDCTARMJSNVAG-UHFFFAOYSA-N
SMILES:
Clc1c(cccc1Br)SCc1ccccc1
Properties
Complexity:
206  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.938g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.637g/mol
Monoisotopic Mass:
311.938g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties