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

2-[(2,5-dichlorophenyl)sulfanyl]propanoic acid

CAS No.:
99846-99-8
Catalog Number:
AG019VV5
Molecular Formula:
C9H8Cl2O2S
Molecular Weight:
251.1296
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Product Description
Catalog Number:
AG019VV5
Chemical Name:
2-[(2,5-dichlorophenyl)sulfanyl]propanoic acid
CAS Number:
99846-99-8
Molecular Formula:
C9H8Cl2O2S
Molecular Weight:
251.1296
MDL Number:
MFCD09045008
IUPAC Name:
2-(2,5-dichlorophenyl)sulfanylpropanoic acid
InChI:
InChI=1S/C9H8Cl2O2S/c1-5(9(12)13)14-8-4-6(10)2-3-7(8)11/h2-5H,1H3,(H,12,13)
InChI Key:
CHESPMUHLLVPAV-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)Sc1cc(Cl)ccc1Cl
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.962g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
251.121g/mol
Monoisotopic Mass:
249.962g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties