4-(3,5-difluorophenyl)-3-fluorobenzoic acid


Chemical Name: 4-(3,5-difluorophenyl)-3-fluorobenzoic acid
CAS Number: 1262006-03-0
Product Number: AG000SBZ(AGN-PC-09PVED)
Synonyms:
MDL No:
Molecular Formula: C13H7F3O2
Molecular Weight: 252.1887

Identification/Properties


Computed Properties
Molecular Weight:
252.192g/mol
XLogP3:
3.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
252.04g/mol
Monoisotopic Mass:
252.04g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
18
Formal Charge:
0
Complexity:
301
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:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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