Home Halogens 2-chloro-6-(cyclopentylsulfanyl)benzoic acid

2-chloro-6-(cyclopentylsulfanyl)benzoic acid

CAS No.:
1338949-07-7
Catalog Number:
AG01ACG5
Molecular Formula:
C12H13ClO2S
Molecular Weight:
256.7484
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Product Description
Catalog Number:
AG01ACG5
Chemical Name:
2-chloro-6-(cyclopentylsulfanyl)benzoic acid
CAS Number:
1338949-07-7
Molecular Formula:
C12H13ClO2S
Molecular Weight:
256.7484
MDL Number:
MFCD18270809
IUPAC Name:
2-chloro-6-cyclopentylsulfanylbenzoic acid
InChI:
InChI=1S/C12H13ClO2S/c13-9-6-3-7-10(11(9)12(14)15)16-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2,(H,14,15)
InChI Key:
DMXWHXDZUUHGMF-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(SC2CCCC2)cccc1Cl
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