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1224742-16-8 | [1,1'-Biphenyl]-3-acetic acid, 4'-(trifluoromethoxy)-
CAS No: 1224742-16-8 Catalog No: AG0017AN MDL No:MFCD22205785
Product Description
Catalog Number:
AG0017AN
Chemical Name:
[1,1'-Biphenyl]-3-acetic acid, 4'-(trifluoromethoxy)-
CAS Number:
1224742-16-8
Molecular Formula:
C15H11F3O3
Molecular Weight:
296.2412
MDL Number:
MFCD22205785
IUPAC Name:
2-[3-[4-(trifluoromethoxy)phenyl]phenyl]acetic acid
InChI:
InChI=1S/C15H11F3O3/c16-15(17,18)21-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-14(19)20/h1-8H,9H2,(H,19,20)
InChI Key:
KHJFSXOQGHCNOQ-UHFFFAOYSA-N
SMILES:
OC(=O)Cc1cccc(c1)c1ccc(cc1)OC(F)(F)F
Properties
Complexity:
349
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:
4
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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