Home Halogens 4-Thiazoleacetic acid, 2-(2-chlorophenyl)-

4-Thiazoleacetic acid, 2-(2-chlorophenyl)-

CAS No.:
17969-25-4
Catalog Number:
AG00277G
Molecular Formula:
C11H8ClNO2S
Molecular Weight:
253.7047
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Product Description
Catalog Number:
AG00277G
Chemical Name:
4-Thiazoleacetic acid, 2-(2-chlorophenyl)-
CAS Number:
17969-25-4
Molecular Formula:
C11H8ClNO2S
Molecular Weight:
253.7047
MDL Number:
MFCD06857878
IUPAC Name:
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetic acid
InChI:
InChI=1S/C11H8ClNO2S/c12-9-4-2-1-3-8(9)11-13-7(6-16-11)5-10(14)15/h1-4,6H,5H2,(H,14,15)
InChI Key:
YHTKTBSWVKJNQG-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1csc(n1)c1ccccc1Cl
Properties
Complexity:
264  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.996g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
253.7g/mol
Monoisotopic Mass:
252.996g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties