1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-(3,4-difluoro-2-methoxyphenyl)acetic acid

2.1.2 InChI

InChI=1S/C9H8F2O3/c1-14-9-5(4-7(12)13)2-3-6(10)8(9)11/h2-3H,4H2,1H3,(H,12,13)

2.1.3 InChI Key

LQBDBXIFSVFDTF-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1558274-26-2

2. 2-(3,4-difluoro-2-methoxy-phenyl)acetic Acid

3. 3,4-difluoro-2-methoxyphenylacetic Acid

4. Schembl24780447

5. Mfcd28626908

6. Akos023631624

7. Db-421952

8. G62391

9. En300-1839581

2.3 Create Date

2014-10-20

3 Chemical and Physical Properties

Molecular Formula	C₉H₈F₂O₃
Molecular Weight	202.15 g/mol
XLogP3	1.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	46.5
Heavy Atom Count	14
Formal Charge	0
Complexity	210
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

2-(3,4-Difluoro-2-methoxyphenyl)acetic Acid