[1,1'-Biphenyl]-3-carboxylic acid, 3',5'-bis(trifluoromethyl)-


Chemical Name: [1,1'-Biphenyl]-3-carboxylic acid, 3',5'-bis(trifluoromethyl)-
CAS Number: 177733-57-2
Product Number: AG0025IH(AGN-PC-03X8EH)
Synonyms:
MDL No:
Molecular Formula: C15H8F6O2
Molecular Weight: 334.2132

Identification/Properties


Computed Properties
Molecular Weight:
334.217g/mol
XLogP3:
5.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
8
Rotatable Bond Count:
2
Exact Mass:
334.043g/mol
Monoisotopic Mass:
334.043g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
23
Formal Charge:
0
Complexity:
409
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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