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Home > Fluorides > 1417514-72-7
1417514-72-7 | 2-(3,4,5-Trifluorobenzoyl)benzoic acid
CAS No: 1417514-72-7 Catalog No: AG01FCPU MDL No:
Product Description
Catalog Number:
AG01FCPU
Chemical Name:
2-(3,4,5-Trifluorobenzoyl)benzoic acid
CAS Number:
1417514-72-7
Molecular Formula:
C14H7F3O3
Molecular Weight:
280.1988
IUPAC Name:
2-(3,4,5-trifluorobenzoyl)benzoic acid
InChI:
InChI=1S/C14H7F3O3/c15-10-5-7(6-11(16)12(10)17)13(18)8-3-1-2-4-9(8)14(19)20/h1-6H,(H,19,20)
InChI Key:
MQSCYMAHNNBKOX-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1C(=O)O)c1cc(F)c(c(c1)F)F
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.035g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.202g/mol
Monoisotopic Mass:
280.035g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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