Home Halogens 2-[(2-chlorophenyl)sulfanyl]-2-phenylacetic acid

2-[(2-chlorophenyl)sulfanyl]-2-phenylacetic acid

CAS No.:
938267-73-3
Catalog Number:
AG01AB6J
Molecular Formula:
C14H11ClO2S
Molecular Weight:
278.7539
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Product Description
Catalog Number:
AG01AB6J
Chemical Name:
2-[(2-chlorophenyl)sulfanyl]-2-phenylacetic acid
CAS Number:
938267-73-3
Molecular Formula:
C14H11ClO2S
Molecular Weight:
278.7539
MDL Number:
MFCD09715740
IUPAC Name:
2-(2-chlorophenyl)sulfanyl-2-phenylacetic acid
InChI:
InChI=1S/C14H11ClO2S/c15-11-8-4-5-9-12(11)18-13(14(16)17)10-6-2-1-3-7-10/h1-9,13H,(H,16,17)
InChI Key:
QQJTUABAACBWNM-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)Sc1ccccc1Cl
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.017g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
278.75g/mol
Monoisotopic Mass:
278.017g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  
Properties