Home Halogens 2-[(3,5-dichlorophenyl)sulfanyl]acetic acid

2-[(3,5-dichlorophenyl)sulfanyl]acetic acid

CAS No.:
17231-93-5
Catalog Number:
AG01BC52
Molecular Formula:
C8H6Cl2O2S
Molecular Weight:
237.1030
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Product Description
Catalog Number:
AG01BC52
Chemical Name:
2-[(3,5-dichlorophenyl)sulfanyl]acetic acid
CAS Number:
17231-93-5
Molecular Formula:
C8H6Cl2O2S
Molecular Weight:
237.1030
MDL Number:
MFCD09475471
IUPAC Name:
2-(3,5-dichlorophenyl)sulfanylacetic acid
InChI:
InChI=1S/C8H6Cl2O2S/c9-5-1-6(10)3-7(2-5)13-4-8(11)12/h1-3H,4H2,(H,11,12)
InChI Key:
UBNOVSDQXAGDCH-UHFFFAOYSA-N
SMILES:
OC(=O)CSc1cc(Cl)cc(c1)Cl
Properties
Complexity:
179  
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:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties