Home Halogens 2-(3-chlorophenyl)-2-(methylsulfanyl)acetic acid

2-(3-chlorophenyl)-2-(methylsulfanyl)acetic acid

CAS No.:
29270-27-7
Catalog Number:
AG01DWB5
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
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Product Description
Catalog Number:
AG01DWB5
Chemical Name:
2-(3-chlorophenyl)-2-(methylsulfanyl)acetic acid
CAS Number:
29270-27-7
Molecular Formula:
C9H9ClO2S
Molecular Weight:
216.6846
MDL Number:
MFCD24487837
IUPAC Name:
2-(3-chlorophenyl)-2-methylsulfanylacetic acid
InChI:
InChI=1S/C9H9ClO2S/c1-13-8(9(11)12)6-3-2-4-7(10)5-6/h2-5,8H,1H3,(H,11,12)
InChI Key:
WREJFCAEDPZXLN-UHFFFAOYSA-N
SMILES:
CSC(c1cccc(c1)Cl)C(=O)O
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.001g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.679g/mol
Monoisotopic Mass:
216.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties