Home Halogens 4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoic acid

4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoic acid

CAS No.:
842137-56-8
Catalog Number:
AG019N13
Molecular Formula:
C11H8ClNO2S
Molecular Weight:
253.7047
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Product Description
Catalog Number:
AG019N13
Chemical Name:
4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoic acid
CAS Number:
842137-56-8
Molecular Formula:
C11H8ClNO2S
Molecular Weight:
253.7047
MDL Number:
MFCD09049757
IUPAC Name:
4-[4-(chloromethyl)-1,3-thiazol-2-yl]benzoic acid
InChI:
InChI=1S/C11H8ClNO2S/c12-5-9-6-16-10(13-9)7-1-3-8(4-2-7)11(14)15/h1-4,6H,5H2,(H,14,15)
InChI Key:
MTFQTWYTXNKGAU-UHFFFAOYSA-N
SMILES:
ClCc1csc(n1)c1ccc(cc1)C(=O)O
Properties
Complexity:
256  
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:
2.6  
Properties