Home Carboxys 2-(trifluoromethyl)-1-benzofuran-3-carboxylic acid

2-(trifluoromethyl)-1-benzofuran-3-carboxylic acid

CAS No.:
1506556-61-1
Catalog Number:
AG01DVFT
Molecular Formula:
C10H5F3O3
Molecular Weight:
230.1401
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Product Description
Catalog Number:
AG01DVFT
Chemical Name:
2-(trifluoromethyl)-1-benzofuran-3-carboxylic acid
CAS Number:
1506556-61-1
Molecular Formula:
C10H5F3O3
Molecular Weight:
230.1401
MDL Number:
MFCD31616100
IUPAC Name:
2-(trifluoromethyl)-1-benzofuran-3-carboxylic acid
InChI:
InChI=1S/C10H5F3O3/c11-10(12,13)8-7(9(14)15)5-3-1-2-4-6(5)16-8/h1-4H,(H,14,15)
InChI Key:
QNFIJDBQRKNREL-UHFFFAOYSA-N
SMILES:
OC(=O)c1c2ccccc2oc1C(F)(F)F
Properties
Complexity:
290  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.019g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
230.142g/mol
Monoisotopic Mass:
230.019g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties