Home Halogens 2,4-dichloro-5-(methylsulfanyl)benzoic acid

2,4-dichloro-5-(methylsulfanyl)benzoic acid

CAS No.:
51521-99-4
Catalog Number:
AG019ZKU
Molecular Formula:
C8H6Cl2O2S
Molecular Weight:
237.1030
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Product Description
Catalog Number:
AG019ZKU
Chemical Name:
2,4-dichloro-5-(methylsulfanyl)benzoic acid
CAS Number:
51521-99-4
Molecular Formula:
C8H6Cl2O2S
Molecular Weight:
237.1030
MDL Number:
MFCD22375241
IUPAC Name:
2,4-dichloro-5-methylsulfanylbenzoic acid
InChI:
InChI=1S/C8H6Cl2O2S/c1-13-7-2-4(8(11)12)5(9)3-6(7)10/h2-3H,1H3,(H,11,12)
InChI Key:
OLEVMMVZQSLUHP-UHFFFAOYSA-N
SMILES:
CSc1cc(C(=O)O)c(cc1Cl)Cl
Properties
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.947g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
237.094g/mol
Monoisotopic Mass:
235.947g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties