Home Carboxys 2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid

CAS No.:
499766-90-4
Catalog Number:
AG01BDAD
Molecular Formula:
C6H4F3NO3
Molecular Weight:
195.0961
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Product Description
Catalog Number:
AG01BDAD
Chemical Name:
2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CAS Number:
499766-90-4
Molecular Formula:
C6H4F3NO3
Molecular Weight:
195.0961
MDL Number:
MFCD22042205
IUPAC Name:
2-methyl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
InChI:
InChI=1S/C6H4F3NO3/c1-2-10-4(6(7,8)9)3(13-2)5(11)12/h1H3,(H,11,12)
InChI Key:
MUCHPEWZKWNIEW-UHFFFAOYSA-N
SMILES:
Cc1oc(c(n1)C(F)(F)F)C(=O)O
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.014g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.097g/mol
Monoisotopic Mass:
195.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties