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1261948-48-4 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-methoxy-5-(trifluoromethyl)-
CAS No: 1261948-48-4 Catalog No: AG000S7R MDL No:MFCD18319514
Product Description
Catalog Number:
AG000S7R
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-methoxy-5-(trifluoromethyl)-
CAS Number:
1261948-48-4
Molecular Formula:
C15H11F3O3
Molecular Weight:
296.2412
MDL Number:
MFCD18319514
IUPAC Name:
3-(3-methoxyphenyl)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C15H11F3O3/c1-21-13-4-2-3-9(8-13)10-5-11(14(19)20)7-12(6-10)15(16,17)18/h2-8H,1H3,(H,19,20)
InChI Key:
PFCZETSTFXDYPA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Properties
Complexity:
370
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:
3.9
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