Home Halogens 4-chloro-2-(cyclopentylsulfanyl)benzoic acid

4-chloro-2-(cyclopentylsulfanyl)benzoic acid

CAS No.:
1343726-37-3
Catalog Number:
AG01AC90
Molecular Formula:
C12H13ClO2S
Molecular Weight:
256.7484
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Product Description
Catalog Number:
AG01AC90
Chemical Name:
4-chloro-2-(cyclopentylsulfanyl)benzoic acid
CAS Number:
1343726-37-3
Molecular Formula:
C12H13ClO2S
Molecular Weight:
256.7484
MDL Number:
MFCD18270817
IUPAC Name:
4-chloro-2-cyclopentylsulfanylbenzoic acid
InChI:
InChI=1S/C12H13ClO2S/c13-8-5-6-10(12(14)15)11(7-8)16-9-3-1-2-4-9/h5-7,9H,1-4H2,(H,14,15)
InChI Key:
JSSFYEQJVOACAC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1SC1CCCC1)Cl
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.032g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.744g/mol
Monoisotopic Mass:
256.032g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  
Properties