CAS 83506-93-8|2-Amino-4,5-difluorobenzoic acid|2-amino-4,5-difluorobenzoic acid|2-amino-4,5-difluorobenzoic acid|4,5-Difluoroanthranilic acid|2-Amino-4,5-difluorobenzoic acid|2-氨基-4,5-二氟苯甲酸|...

General Information

Structure

Molecular Formula

C₇H₅F₂NO₂

Molecular Mass

173.1169064

Exact Mass

173.02883485

Charge

InChI

InChI=1S/C7H5F2NO2/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H,11,12)

InChIKey

DGOZIZVTANAGCA-UHFFFAOYSA-N

Canonic Smiles

OC(=O)c1cc(F)c(cc1N)F

Isomeric Smiles

C(=O)(O)c1c(N)cc(c(c1)F)F

Calculated Properties

JChem

Acid pKa

4.508753

H Acceptors

H Donor

LogD (pH = 5.5)

0.6973286

LogD (pH = 7.4)

-1.0709246

Log P

1.7373066

Molar Refractivity

38.4474

Polarizability

13.443882

Polar Surface Area

63.32

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2-Amino-4,5-difluorobenzoic acid4,5-Difluoroanthranilic acid2-Amino-4,5-difluorobenzoic acid2-氨基-4,5-二氟苯甲酸4,5-Difluoroanthranilic acid2-Amino-4,5-difluorobenzoic acid4,5-二氟邻氨基苯甲酸2-氨基-4,5-二氟苯甲酸4,5-二氟邻氨基苯甲酸

IUPAC Traditional name

2-amino-4,5-difluorobenzoic acid

IUPAC name

2-amino-4,5-difluorobenzoic acid

Names and Identifiers

Registration numbers

CAS Number

83506-93-8

MDL Number

MFCD00077509

EC Number

000-000-0