Home Halogens Propanoic acid, 3-[(3-chlorophenyl)thio]-

Propanoic acid, 3-[(3-chlorophenyl)thio]-

CAS No.:
1132-52-1
Catalog Number:
AG00823X
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
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Product Description
Catalog Number:
AG00823X
Chemical Name:
Propanoic acid, 3-[(3-chlorophenyl)thio]-
CAS Number:
1132-52-1
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
MDL Number:
MFCD09717522
IUPAC Name:
3-(3-chlorophenyl)sulfanylpropanoic acid
InChI:
InChI=1S/C9H9ClO2S/c10-7-2-1-3-8(6-7)13-5-4-9(11)12/h1-3,6H,4-5H2,(H,11,12)
InChI Key:
LBNJHWGKGWWFGN-UHFFFAOYSA-N
SMILES:
OC(=O)CCSc1cccc(c1)Cl
Properties
Complexity:
175  
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:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties