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127783-73-7 | [1,1'-Biphenyl]-4-carboxylic acid, 4'-(trifluoroMethyl)-, Methyl ester
CAS No: 127783-73-7 Catalog No: AG000XE7 MDL No:
Product Description
Catalog Number:
AG000XE7
Chemical Name:
[1,1'-Biphenyl]-4-carboxylic acid, 4'-(trifluoroMethyl)-, Methyl ester
CAS Number:
127783-73-7
Molecular Formula:
C15H11F3O2
Molecular Weight:
280.2418
IUPAC Name:
methyl 4-[4-(trifluoromethyl)phenyl]benzoate
InChI:
InChI=1S/C15H11F3O2/c1-20-14(19)12-4-2-10(3-5-12)11-6-8-13(9-7-11)15(16,17)18/h2-9H,1H3
InChI Key:
QMFIMGLTUKGUQO-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
325
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:
0
Isotope Atom Count:
0
Molecular Weight:
280.246g/mol
Monoisotopic Mass:
280.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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