Home Halogens 2-chloro-6-(ethylsulfanyl)benzoic acid

2-chloro-6-(ethylsulfanyl)benzoic acid

CAS No.:
1344255-26-0
Catalog Number:
AG01AF3A
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
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Product Description
Catalog Number:
AG01AF3A
Chemical Name:
2-chloro-6-(ethylsulfanyl)benzoic acid
CAS Number:
1344255-26-0
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
MDL Number:
MFCD16852948
IUPAC Name:
2-chloro-6-ethylsulfanylbenzoic acid
InChI:
InChI=1S/C9H9ClO2S/c1-2-13-7-5-3-4-6(10)8(7)9(11)12/h3-5H,2H2,1H3,(H,11,12)
InChI Key:
KUIZBWAQTKRYDR-UHFFFAOYSA-N
SMILES:
CCSc1cccc(c1C(=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  
Properties