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Home > Fluorides > 261945-01-1
261945-01-1 | 2,4-Difluoro-5-(trifluoromethyl)benzoic acid
CAS No: 261945-01-1 Catalog No: AG01FHFA MDL No:
Product Description
Catalog Number:
AG01FHFA
Chemical Name:
2,4-Difluoro-5-(trifluoromethyl)benzoic acid
CAS Number:
261945-01-1
IUPAC Name:
2,4-difluoro-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C8H3F5O2/c9-5-2-6(10)4(8(11,12)13)1-3(5)7(14)15/h1-2H,(H,14,15)
InChI Key:
SQWIBAQCNRNRKF-UHFFFAOYSA-N
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.005g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.102g/mol
Monoisotopic Mass:
226.005g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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