2-amino-6-(dichloromethoxy)benzoic acid

C8H7Cl2NO3 — CID 19612025

IUPAC2-amino-6-(dichloromethoxy)benzoic acid
SMILESNc1cccc(OC(Cl)Cl)c1C(=O)O
InChIInChI=1S/C8H7Cl2NO3/c9-8(10)14-5-3-1-2-4(11)6(5)7(12)13/h1-3,8H,11H2,(H,12,13)
InChIKeyNCKMDKBOIUOWPC-UHFFFAOYSA-N
MW236.05 g/mol
LogP2.11
Rot. Bonds3

About 2-amino-6-(dichloromethoxy)benzoic acid

2-amino-6-(dichloromethoxy)benzoic acid (PubChem CID 19612025) has the molecular formula C8H7Cl2NO3 and a molecular weight of 236.05 g/mol. Its IUPAC name is 2-amino-6-(dichloromethoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-6-(dichloromethoxy)benzoic acid
PubChem CID19612025
Molecular FormulaC8H7Cl2NO3
Molecular Weight236.05 g/mol
Exact Mass234.98
IUPAC Name2-amino-6-(dichloromethoxy)benzoic acid
SMILESNc1cccc(OC(Cl)Cl)c1C(=O)O
InChIInChI=1S/C8H7Cl2NO3/c9-8(10)14-5-3-1-2-4(11)6(5)7(12)13/h1-3,8H,11H2,(H,12,13)
InChIKeyNCKMDKBOIUOWPC-UHFFFAOYSA-N
XLogP2.11
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.05
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methoxybenzoic acid;hydrochloride
CID 46735179
2-amino-6-(4-methoxybutan-2-yloxy)benzoic acid
CID 107341428
2-amino-6-(trifluoromethoxy)benzoic acid
CID 11096155
2-amino-6-(1-chloroethyl)benzoic acid
CID 19612043
2-amino-6-(2-methylsulfanylethoxy)benzoic acid
CID 107341426
2-amino-6-(2-ethoxyethoxy)benzoic acid
CID 107341443
2-amino-6-[2-oxo-2-(propan-2-ylamino)ethoxy]benzoic acid
CID 107341681
2-amino-6-[2-(trifluoromethoxy)ethoxy]benzoic acid
CID 107341705
2-amino-6-(oxan-4-yloxy)benzoic acid
CID 107341552
2-amino-6-[2-(carbamoylamino)-2-oxoethoxy]benzoic acid
CID 107341680
2-amino-6-iodobenzoic acid
CID 12761007
2-amino-6-bromobenzoic acid
CID 10560649

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(dichloromethoxy)benzoic acid?
The IUPAC name of 2-amino-6-(dichloromethoxy)benzoic acid (CID 19612025) is 2-amino-6-(dichloromethoxy)benzoic acid.
What is the SMILES notation for 2-amino-6-(dichloromethoxy)benzoic acid?
The canonical SMILES for 2-amino-6-(dichloromethoxy)benzoic acid is Nc1cccc(OC(Cl)Cl)c1C(=O)O.
What is the InChIKey of 2-amino-6-(dichloromethoxy)benzoic acid?
The InChIKey is NCKMDKBOIUOWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO3/c9-8(10)14-5-3-1-2-4(11)6(5)7(12)13/h1-3,8H,11H2,(H,12,13).
What are the key properties of 2-amino-6-(dichloromethoxy)benzoic acid?
2-amino-6-(dichloromethoxy)benzoic acid has a molecular weight of 236.05 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(dichloromethoxy)benzoic acid is sourced from PubChem (CID 19612025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).