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877607-26-6 | 2-(3'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)acetic acid
CAS No: 877607-26-6 Catalog No: AG004FLL MDL No:MFCD05980246
Product Description
Catalog Number:
AG004FLL
Chemical Name:
2-(3'-(Trifluoromethyl)-[1,1'-biphenyl]-4-yl)acetic acid
CAS Number:
877607-26-6
Molecular Formula:
C15H11F3O2
Molecular Weight:
280.2418
MDL Number:
MFCD05980246
IUPAC Name:
2-[4-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
InChI:
InChI=1S/C15H11F3O2/c16-15(17,18)13-3-1-2-12(9-13)11-6-4-10(5-7-11)8-14(19)20/h1-7,9H,8H2,(H,19,20)
InChI Key:
YVYDJMPAMHYFPY-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
Properties
Complexity:
333
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.071g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.246g/mol
Monoisotopic Mass:
280.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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