Home Halogens 2-[(2-chlorophenyl)sulfanyl]propanoic acid

2-[(2-chlorophenyl)sulfanyl]propanoic acid

CAS No.:
99585-15-6
Catalog Number:
AG019VVG
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
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Product Description
Catalog Number:
AG019VVG
Chemical Name:
2-[(2-chlorophenyl)sulfanyl]propanoic acid
CAS Number:
99585-15-6
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
MDL Number:
MFCD09710790
IUPAC Name:
2-(2-chlorophenyl)sulfanylpropanoic acid
InChI:
InChI=1S/C9H9ClO2S/c1-6(9(11)12)13-8-5-3-2-4-7(8)10/h2-6H,1H3,(H,11,12)
InChI Key:
IEIAJSOBRQNLOX-UHFFFAOYSA-N
SMILES:
OC(=O)C(Sc1ccccc1Cl)C
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties