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Home > Fluorides > 141179-72-8
141179-72-8 | Benzoic acid, 4-fluoro-2-(trifluoromethyl)-
CAS No: 141179-72-8 Catalog No: AG001G0N MDL No:MFCD00040982
Product Description
Catalog Number:
AG001G0N
Chemical Name:
Benzoic acid, 4-fluoro-2-(trifluoromethyl)-
CAS Number:
141179-72-8
Molecular Formula:
C8H4F4O2
Molecular Weight:
208.1098
MDL Number:
MFCD00040982
IUPAC Name:
4-fluoro-2-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H4F4O2/c9-4-1-2-5(7(13)14)6(3-4)8(10,11)12/h1-3H,(H,13,14)
InChI Key:
JUHPDXOIGLHXTC-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C(F)(F)F)C(=O)O
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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