Benzoic acid, 3-chloro-2,4,5-trifluoro-


Chemical Name: Benzoic acid, 3-chloro-2,4,5-trifluoro-
CAS Number: 101513-77-3
Product Number: AG0004P5(AGN-PC-0KK6GM)
Synonyms:
MDL No:
Molecular Formula: C7H2ClF3O2
Molecular Weight: 210.5378

Identification/Properties


Computed Properties
Molecular Weight:
210.536g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
1
Exact Mass:
209.97g/mol
Monoisotopic Mass:
209.97g/mol
Topological Polar Surface Area:
37.3A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
214
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

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NMR Spectrum


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