Home Halogens [(4-chlorophenyl)sulfinyl]acetic acid

[(4-chlorophenyl)sulfinyl]acetic acid

CAS No.:
3996-47-2
Catalog Number:
AG0076EQ
Molecular Formula:
C8H7ClO3S
Molecular Weight:
218.6574
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Product Description
Catalog Number:
AG0076EQ
Chemical Name:
[(4-chlorophenyl)sulfinyl]acetic acid
CAS Number:
3996-47-2
Molecular Formula:
C8H7ClO3S
Molecular Weight:
218.6574
MDL Number:
MFCD14694623
IUPAC Name:
2-(4-chlorophenyl)sulfinylacetic acid
InChI:
InChI=1S/C8H7ClO3S/c9-6-1-3-7(4-2-6)13(12)5-8(10)11/h1-4H,5H2,(H,10,11)
InChI Key:
BGQBJZGWNGYNEP-UHFFFAOYSA-N
SMILES:
OC(=O)CS(=O)c1ccc(cc1)Cl
NSC Number:
122652
Properties
Complexity:
211  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.98g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.651g/mol
Monoisotopic Mass:
217.98g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
73.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties