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779320-20-6

779320-20-6 | 4-(4-Chlorophenyl)thiazole-2-carboxylic Acid

CAS No: 779320-20-6 Catalog No: AG0056IH MDL No:MFCD07375211

Product Description

Catalog Number:
AG0056IH
Chemical Name:
4-(4-Chlorophenyl)thiazole-2-carboxylic Acid
CAS Number:
779320-20-6
Molecular Formula:
C10H6ClNO2S
Molecular Weight:
239.6781
MDL Number:
MFCD07375211
IUPAC Name:
4-(4-chlorophenyl)-1,3-thiazole-2-carboxylic acid
InChI:
InChI=1S/C10H6ClNO2S/c11-7-3-1-6(2-4-7)8-5-15-9(12-8)10(13)14/h1-5H,(H,13,14)
InChI Key:
JOMOAMJPPUFTSI-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1csc(n1)C(=O)O

Properties

Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.981g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
239.673g/mol
Monoisotopic Mass:
238.981g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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