Home Halogens 2-(butylsulfanyl)-5-chlorobenzoic acid

2-(butylsulfanyl)-5-chlorobenzoic acid

CAS No.:
1248595-24-5
Catalog Number:
AG01A6T7
Molecular Formula:
C11H13ClO2S
Molecular Weight:
244.7377
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Product Description
Catalog Number:
AG01A6T7
Chemical Name:
2-(butylsulfanyl)-5-chlorobenzoic acid
CAS Number:
1248595-24-5
Molecular Formula:
C11H13ClO2S
Molecular Weight:
244.7377
MDL Number:
MFCD16059699
IUPAC Name:
2-butylsulfanyl-5-chlorobenzoic acid
InChI:
InChI=1S/C11H13ClO2S/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,2-3,6H2,1H3,(H,13,14)
InChI Key:
GAVVBKIWMIWKAR-UHFFFAOYSA-N
SMILES:
CCCCSc1ccc(cc1C(=O)O)Cl
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.032g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.733g/mol
Monoisotopic Mass:
244.032g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties