2-amino-3-(2,4-dichlorophenoxy)benzoic acid

C13H9Cl2NO3 — CID 113333260

IUPAC2-amino-3-(2,4-dichlorophenoxy)benzoic acid
SMILESNc1c(Oc2ccc(Cl)cc2Cl)cccc1C(=O)O
InChIInChI=1S/C13H9Cl2NO3/c14-7-4-5-10(9(15)6-7)19-11-3-1-2-8(12(11)16)13(17)18/h1-6H,16H2,(H,17,18)
InChIKeyLIVANOWDAKISHV-UHFFFAOYSA-N
MW298.12 g/mol
LogP4.07
Rot. Bonds3

About 2-amino-3-(2,4-dichlorophenoxy)benzoic acid

2-amino-3-(2,4-dichlorophenoxy)benzoic acid (PubChem CID 113333260) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 2-amino-3-(2,4-dichlorophenoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-3-(2,4-dichlorophenoxy)benzoic acid
PubChem CID113333260
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name2-amino-3-(2,4-dichlorophenoxy)benzoic acid
SMILESNc1c(Oc2ccc(Cl)cc2Cl)cccc1C(=O)O
InChIInChI=1S/C13H9Cl2NO3/c14-7-4-5-10(9(15)6-7)19-11-3-1-2-8(12(11)16)13(17)18/h1-6H,16H2,(H,17,18)
InChIKeyLIVANOWDAKISHV-UHFFFAOYSA-N
XLogP4.07
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-(2,4-dichlorophenoxy)terephthalic acid
CID 771613
2-amino-3-(3,5-dichlorophenoxy)benzoic acid
CID 115547178
5-amino-2-(2,4-dichlorophenoxy)benzoic acid
CID 54888100
3-(2-amino-4-chlorophenoxy)-2-chlorobenzoic acid
CID 125468152
2-amino-4-(2,4-dichlorophenoxy)benzoic acid
CID 113419891
2-(4-bromo-2-chlorophenoxy)-5-chlorobenzoic acid
CID 63459250
1-[2-(2,4-dichlorophenoxy)phenyl]propan-1-one
CID 112677568
[2-chloro-6-(2,4-dichlorophenoxy)phenyl]methanamine
CID 28966226
2-amino-3-(4-ethyl-2-methoxyphenoxy)benzoic acid
CID 107667476
2-[5-chloro-2-(2,4-dichlorophenoxy)phenyl]acetic acid
CID 13409359
2-amino-3-fluoro-6-(2,4,5-trichlorophenoxy)benzoic acid
CID 83206717
6-chloro-2-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 63376846

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dichlorophenoxy)benzoic acid?
The IUPAC name of 2-amino-3-(2,4-dichlorophenoxy)benzoic acid (CID 113333260) is 2-amino-3-(2,4-dichlorophenoxy)benzoic acid.
What is the SMILES notation for 2-amino-3-(2,4-dichlorophenoxy)benzoic acid?
The canonical SMILES for 2-amino-3-(2,4-dichlorophenoxy)benzoic acid is Nc1c(Oc2ccc(Cl)cc2Cl)cccc1C(=O)O.
What is the InChIKey of 2-amino-3-(2,4-dichlorophenoxy)benzoic acid?
The InChIKey is LIVANOWDAKISHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c14-7-4-5-10(9(15)6-7)19-11-3-1-2-8(12(11)16)13(17)18/h1-6H,16H2,(H,17,18).
What are the key properties of 2-amino-3-(2,4-dichlorophenoxy)benzoic acid?
2-amino-3-(2,4-dichlorophenoxy)benzoic acid has a molecular weight of 298.12 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dichlorophenoxy)benzoic acid is sourced from PubChem (CID 113333260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).