Home Carboxys 2-(trifluoromethyl)-1,3-benzoxazole-5-carboxylic acid

2-(trifluoromethyl)-1,3-benzoxazole-5-carboxylic acid

CAS No.:
1495165-30-4
Catalog Number:
AG01ALYZ
Molecular Formula:
C9H4F3NO3
Molecular Weight:
231.1282
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Product Description
Catalog Number:
AG01ALYZ
Chemical Name:
2-(trifluoromethyl)-1,3-benzoxazole-5-carboxylic acid
CAS Number:
1495165-30-4
Molecular Formula:
C9H4F3NO3
Molecular Weight:
231.1282
MDL Number:
MFCD23098555
IUPAC Name:
2-(trifluoromethyl)-1,3-benzoxazole-5-carboxylic acid
InChI:
InChI=1S/C9H4F3NO3/c10-9(11,12)8-13-5-3-4(7(14)15)1-2-6(5)16-8/h1-3H,(H,14,15)
InChI Key:
WNQKTZKJWJTXGI-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)nc(o2)C(F)(F)F
Properties
Complexity:
294  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.014g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
231.13g/mol
Monoisotopic Mass:
231.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties