Home Halogens 5-chloro-2-(ethylsulfanyl)benzoic acid

5-chloro-2-(ethylsulfanyl)benzoic acid

CAS No.:
1249627-95-9
Catalog Number:
AG019YTY
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
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Product Description
Catalog Number:
AG019YTY
Chemical Name:
5-chloro-2-(ethylsulfanyl)benzoic acid
CAS Number:
1249627-95-9
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
MDL Number:
MFCD16059694
IUPAC Name:
5-chloro-2-ethylsulfanylbenzoic acid
InChI:
InChI=1S/C9H9ClO2S/c1-2-13-8-4-3-6(10)5-7(8)9(11)12/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
AOUUCNTYVWAIHC-UHFFFAOYSA-N
SMILES:
CCSc1ccc(cc1C(=O)O)Cl
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.001g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.679g/mol
Monoisotopic Mass:
216.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties