Home Other Building Blocks 4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoic acid

4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoic acid

CAS No.:
1197469-61-6
Catalog Number:
AG019X40
Molecular Formula:
C8H8F3NO3S
Molecular Weight:
255.2142
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Product Description
Catalog Number:
AG019X40
Chemical Name:
4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CAS Number:
1197469-61-6
Molecular Formula:
C8H8F3NO3S
Molecular Weight:
255.2142
MDL Number:
MFCD13195976
IUPAC Name:
4,4,4-trifluoro-3-hydroxy-3-(4-methyl-1,3-thiazol-2-yl)butanoic acid
InChI:
InChI=1S/C8H8F3NO3S/c1-4-3-16-6(12-4)7(15,2-5(13)14)8(9,10)11/h3,15H,2H2,1H3,(H,13,14)
InChI Key:
HSKUOTMNACHDPJ-UHFFFAOYSA-N
SMILES:
OC(=O)CC(C(F)(F)F)(c1scc(n1)C)O
Properties
Complexity:
286  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.018g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.211g/mol
Monoisotopic Mass:
255.018g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties