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Home Halogens 2-[(2,5-dichlorophenyl)sulfanyl]-2-phenylacetic acid

2-[(2,5-dichlorophenyl)sulfanyl]-2-phenylacetic acid

CAS No.:
54842-65-8
Catalog Number:
AG01AB95
Molecular Formula:
C14H10Cl2O2S
Molecular Weight:
313.1990
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Product Description
Catalog Number:
AG01AB95
Chemical Name:
2-[(2,5-dichlorophenyl)sulfanyl]-2-phenylacetic acid
CAS Number:
54842-65-8
Molecular Formula:
C14H10Cl2O2S
Molecular Weight:
313.1990
MDL Number:
MFCD09713252
IUPAC Name:
2-(2,5-dichlorophenyl)sulfanyl-2-phenylacetic acid
InChI:
InChI=1S/C14H10Cl2O2S/c15-10-6-7-11(16)12(8-10)19-13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H,17,18)
InChI Key:
IEHILMPEHGMAEC-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)Sc1cc(Cl)ccc1Cl
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.978g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
313.192g/mol
Monoisotopic Mass:
311.978g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5  
Properties