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Home Other Building Blocks Benzoic acid, 2,3,4-trifluoro-6-(trifluoromethyl)-

Benzoic acid, 2,3,4-trifluoro-6-(trifluoromethyl)-

CAS No.:
157337-84-3
Catalog Number:
AG001PE8
Molecular Formula:
C8H2F6O2
Molecular Weight:
244.0907
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Product Description
Catalog Number:
AG001PE8
Chemical Name:
Benzoic acid, 2,3,4-trifluoro-6-(trifluoromethyl)-
CAS Number:
157337-84-3
Molecular Formula:
C8H2F6O2
Molecular Weight:
244.0907
MDL Number:
MFCD01631432
IUPAC Name:
2,3,4-trifluoro-6-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H2F6O2/c9-3-1-2(8(12,13)14)4(7(15)16)6(11)5(3)10/h1H,(H,15,16)
InChI Key:
OLTIALGKEMEUCV-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)c(F)c(cc1C(F)(F)F)F
Properties
Complexity:
278  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.996g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
244.092g/mol
Monoisotopic Mass:
243.996g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties