Home Carboxys 2-Amino-5-(trifluoromethyl)thiazole-4-carboxylic acid

2-Amino-5-(trifluoromethyl)thiazole-4-carboxylic acid

CAS No.:
1086380-23-5
Catalog Number:
AG0095FD
Molecular Formula:
C5H3F3N2O2S
Molecular Weight:
212.1497
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Product Description
Catalog Number:
AG0095FD
Chemical Name:
2-Amino-5-(trifluoromethyl)thiazole-4-carboxylic acid
CAS Number:
1086380-23-5
Molecular Formula:
C5H3F3N2O2S
Molecular Weight:
212.1497
MDL Number:
MFCD09991770
IUPAC Name:
2-amino-5-(trifluoromethyl)-1,3-thiazole-4-carboxylic acid
InChI:
InChI=1S/C5H3F3N2O2S/c6-5(7,8)2-1(3(11)12)10-4(9)13-2/h(H2,9,10)(H,11,12)
InChI Key:
WKLMMGOQPSMWRH-UHFFFAOYSA-N
SMILES:
Nc1nc(c(s1)C(F)(F)F)C(=O)O
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.987g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
212.146g/mol
Monoisotopic Mass:
211.987g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties