Home Carboxys 2-(4-(difluoromethyl)phenyl)-4-methylthiazole-5-carboxylic acid

2-(4-(difluoromethyl)phenyl)-4-methylthiazole-5-carboxylic acid

CAS No.:
1550569-16-8
Catalog Number:
AG01BIYO
Molecular Formula:
C12H9F2NO2S
Molecular Weight:
269.2672
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Product Description
Catalog Number:
AG01BIYO
Chemical Name:
2-(4-(difluoromethyl)phenyl)-4-methylthiazole-5-carboxylic acid
CAS Number:
1550569-16-8
Molecular Formula:
C12H9F2NO2S
Molecular Weight:
269.2672
MDL Number:
MFCD25220899
IUPAC Name:
2-[4-(difluoromethyl)phenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
InChI:
InChI=1S/C12H9F2NO2S/c1-6-9(12(16)17)18-11(15-6)8-4-2-7(3-5-8)10(13)14/h2-5,10H,1H3,(H,16,17)
InChI Key:
BGWYWKWPBBTQOG-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)c1nc(c(s1)C(=O)O)C)F
Properties
Complexity:
309  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.032g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
269.266g/mol
Monoisotopic Mass:
269.032g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties