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1261953-10-9 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-methyl-5-(trifluoromethyl)-
CAS No: 1261953-10-9 Catalog No: AG000S8W MDL No:MFCD18318949
Product Description
Catalog Number:
AG000S8W
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-methyl-5-(trifluoromethyl)-
CAS Number:
1261953-10-9
Molecular Formula:
C15H11F3O2
Molecular Weight:
280.2418
MDL Number:
MFCD18318949
IUPAC Name:
3-(3-methylphenyl)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C15H11F3O2/c1-9-3-2-4-10(5-9)11-6-12(14(19)20)8-13(7-11)15(16,17)18/h2-8H,1H3,(H,19,20)
InChI Key:
NPYYNJUAAYZTHG-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1cc(cc(c1)C(F)(F)F)C(=O)O
Properties
Complexity:
354
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:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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