Home Carboxys 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid

2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid

CAS No.:
500605-08-3
Catalog Number:
AG019XIU
Molecular Formula:
C10H6FNO2S
Molecular Weight:
223.2235
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Product Description
Catalog Number:
AG019XIU
Chemical Name:
2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
CAS Number:
500605-08-3
Molecular Formula:
C10H6FNO2S
Molecular Weight:
223.2235
MDL Number:
MFCD07376769
IUPAC Name:
2-(2-fluorophenyl)-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C10H6FNO2S/c11-7-4-2-1-3-6(7)9-12-5-8(15-9)10(13)14/h1-5H,(H,13,14)
InChI Key:
XXKQUDUROIXGAP-UHFFFAOYSA-N
SMILES:
Fc1ccccc1c1ncc(s1)C(=O)O
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.01g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.221g/mol
Monoisotopic Mass:
223.01g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties