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1261560-31-9 | [1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-4'-(trifluoromethoxy)-
CAS No: 1261560-31-9 Catalog No: AG000RU1 MDL No:MFCD18322427
Product Description
Catalog Number:
AG000RU1
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-4'-(trifluoromethoxy)-
CAS Number:
1261560-31-9
Molecular Formula:
C15H11F3O3
Molecular Weight:
296.2412
MDL Number:
MFCD18322427
IUPAC Name:
3-methyl-4-[4-(trifluoromethoxy)phenyl]benzoic acid
InChI:
InChI=1S/C15H11F3O3/c1-9-8-11(14(19)20)4-7-13(9)10-2-5-12(6-3-10)21-15(16,17)18/h2-8H,1H3,(H,19,20)
InChI Key:
CCLFYAGZIUYKHS-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1c1ccc(cc1)OC(F)(F)F)C(=O)O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.066g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.245g/mol
Monoisotopic Mass:
296.066g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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