Home Other Building Blocks 2-[4-(trifluoromethyl)furan-2-yl]acetic acid

2-[4-(trifluoromethyl)furan-2-yl]acetic acid

CAS No.:
1504300-33-7
Catalog Number:
AG01EKSO
Molecular Formula:
C7H5F3O3
Molecular Weight:
194.1080
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Product Description
Catalog Number:
AG01EKSO
Chemical Name:
2-[4-(trifluoromethyl)furan-2-yl]acetic acid
CAS Number:
1504300-33-7
Molecular Formula:
C7H5F3O3
Molecular Weight:
194.1080
MDL Number:
MFCD31559600
IUPAC Name:
2-[4-(trifluoromethyl)furan-2-yl]acetic acid
InChI:
InChI=1S/C7H5F3O3/c8-7(9,10)4-1-5(13-3-4)2-6(11)12/h1,3H,2H2,(H,11,12)
InChI Key:
XPYNEPITPZHMKW-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1occ(c1)C(F)(F)F
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.019g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.109g/mol
Monoisotopic Mass:
194.019g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties