1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2,3,4,6-tetrafluorobenzoic acid

2.1.2 InChI

InChI=1S/C7H2F4O2/c8-2-1-3(9)5(10)6(11)4(2)7(12)13/h1H,(H,12,13)

2.1.3 InChI Key

JMVKZWLEXQRABZ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

C1=C(C(=C(C(=C1F)F)F)C(=O)O)F

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 32890-92-9

2. 2,3,4,6-tetrafluorobenzoicacid

3. Schembl364018

4. Dtxsid50380208

5. Zinc2579167

6. Mfcd00039523

7. Akos016010030

8. Ps-10111

9. Cs-0212244

10. A856683

2.3 Create Date

2005-07-19

3 Chemical and Physical Properties

Molecular Formula	C₇H₂F₄O₂
Molecular Weight	194.08 g/mol
XLogP3	2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	193.99909195 g/mol
Monoisotopic Mass	193.99909195 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	211
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

CAS 32890-92-9