Home Halogens 2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}acetic acid

2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}acetic acid

CAS No.:
923163-52-4
Catalog Number:
AG019NBN
Molecular Formula:
C10H11ClO3S
Molecular Weight:
246.7105
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Product Description
Catalog Number:
AG019NBN
Chemical Name:
2-{[2-(4-chlorophenoxy)ethyl]sulfanyl}acetic acid
CAS Number:
923163-52-4
Molecular Formula:
C10H11ClO3S
Molecular Weight:
246.7105
MDL Number:
MFCD08444788
IUPAC Name:
2-[2-(4-chlorophenoxy)ethylsulfanyl]acetic acid
InChI:
InChI=1S/C10H11ClO3S/c11-8-1-3-9(4-2-8)14-5-6-15-7-10(12)13/h1-4H,5-7H2,(H,12,13)
InChI Key:
SENQEYBTQCBZDQ-UHFFFAOYSA-N
SMILES:
OC(=O)CSCCOc1ccc(cc1)Cl
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.012g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.705g/mol
Monoisotopic Mass:
246.012g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties