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654-99-9 | 5-Fluoro-2-(trifluoromethyl)benzoic acid
CAS No: 654-99-9 Catalog No: AG003MQJ MDL No:MFCD00083521
Product Description
Catalog Number:
AG003MQJ
Chemical Name:
5-Fluoro-2-(trifluoromethyl)benzoic acid
CAS Number:
654-99-9
Molecular Formula:
C8H4F4O2
Molecular Weight:
208.1098
MDL Number:
MFCD00083521
IUPAC Name:
5-fluoro-2-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H4F4O2/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H,13,14)
InChI Key:
BRFNBGWEOKQIND-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(=O)O)C(F)(F)F
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.015g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.112g/mol
Monoisotopic Mass:
208.015g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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