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1008773-97-4 | [1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-3'-(trifluoromethyl)-
CAS No: 1008773-97-4 Catalog No: AG000332 MDL No:MFCD18321753
Product Description
Catalog Number:
AG000332
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 2-methyl-3'-(trifluoromethyl)-
CAS Number:
1008773-97-4
Molecular Formula:
C15H11F3O2
Molecular Weight:
280.2418
MDL Number:
MFCD18321753
IUPAC Name:
3-methyl-4-[3-(trifluoromethyl)phenyl]benzoic acid
InChI:
InChI=1S/C15H11F3O2/c1-9-7-11(14(19)20)5-6-13(9)10-3-2-4-12(8-10)15(16,17)18/h2-8H,1H3,(H,19,20)
InChI Key:
LCVZKPOQZIJLSS-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1)C)c1cccc(c1)C(F)(F)F
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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