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1261972-04-6 | [1,1'-Biphenyl]-3-carboxylic acid, 3'-fluoro-4'-methyl-5-(trifluoromethyl)-
CAS No: 1261972-04-6 Catalog No: AG000SA4 MDL No:MFCD18319651
Product Description
Catalog Number:
AG000SA4
Chemical Name:
[1,1'-Biphenyl]-3-carboxylic acid, 3'-fluoro-4'-methyl-5-(trifluoromethyl)-
CAS Number:
1261972-04-6
Molecular Formula:
C15H10F4O2
Molecular Weight:
298.2323
MDL Number:
MFCD18319651
IUPAC Name:
3-(3-fluoro-4-methylphenyl)-5-(trifluoromethyl)benzoic acid
InChI:
InChI=1S/C15H10F4O2/c1-8-2-3-9(7-13(8)16)10-4-11(14(20)21)6-12(5-10)15(17,18)19/h2-7H,1H3,(H,20,21)
InChI Key:
GKYADOUZTBGAPJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(cc(c1)C(F)(F)F)c1ccc(c(c1)F)C
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.062g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
298.237g/mol
Monoisotopic Mass:
298.062g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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