2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride

C8H8Cl3NO3 — CID 67868356

IUPAC2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride
SMILESCl.NOC(C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2NO3.ClH/c9-4-1-2-5(6(10)3-4)7(14-11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H
InChIKeyREMJVGARRXSRTH-UHFFFAOYSA-N
MW272.52 g/mol
LogP2.43
Rot. Bonds3

About 2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride

2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride (PubChem CID 67868356) has the molecular formula C8H8Cl3NO3 and a molecular weight of 272.52 g/mol. Its IUPAC name is 2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride
PubChem CID67868356
Molecular FormulaC8H8Cl3NO3
Molecular Weight272.52 g/mol
Exact Mass270.96
IUPAC Name2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride
SMILESCl.NOC(C(=O)O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl2NO3.ClH/c9-4-1-2-5(6(10)3-4)7(14-11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H
InChIKeyREMJVGARRXSRTH-UHFFFAOYSA-N
XLogP2.43
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.52
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

O-[(2,4-dichlorophenyl)-phenylmethyl]hydroxylamine;hydrochloride
CID 155564613
1-(2,4-dichlorophenyl)-1-ethoxypropan-2-one
CID 83226646
(2S)-2-[amino-(2,4-dichlorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 57361696
(2R)-2-amino-2-(2,5-dichlorophenyl)acetic acid;hydrochloride
CID 162344521
2,4-dichloro-1-[chloro-[chloro-(2,4-dichlorophenyl)methyl]peroxymethyl]benzene
CID 174946980
ethyl 4-chloro-4-(2,4-dichlorophenyl)butanoate
CID 82366891
tert-butyl 2-chloro-2-(2,4-dichlorophenyl)acetate
CID 54191230
(2S)-2-(2,4-dichlorophenoxy)-2-phenylacetic acid
CID 42233563
2-(2,4-dichlorophenyl)propanoyl chloride
CID 14408749
2-(5-chloro-2-fluorophenyl)-2-methoxyacetic acid
CID 114868069
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
[(2R)-1-(2,4-dichlorophenyl)-1-hydroxypropan-2-yl] carbamate
CID 145362480

Frequently Asked Questions

What is the IUPAC name of 2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride?
The IUPAC name of 2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride (CID 67868356) is 2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride?
The canonical SMILES for 2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride is Cl.NOC(C(=O)O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride?
The InChIKey is REMJVGARRXSRTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2NO3.ClH/c9-4-1-2-5(6(10)3-4)7(14-11)8(12)13;/h1-3,7H,11H2,(H,12,13);1H.
What are the key properties of 2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride?
2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride has a molecular weight of 272.52 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxy-2-(2,4-dichlorophenyl)acetic acid;hydrochloride is sourced from PubChem (CID 67868356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).