methyl 2-(2-amino-4,6-dichlorophenyl)acetate

C9H9Cl2NO2 — CID 131482461

IUPACmethyl 2-(2-amino-4,6-dichlorophenyl)acetate
SMILESCOC(=O)Cc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-14-9(13)4-6-7(11)2-5(10)3-8(6)12/h2-3H,4,12H2,1H3
InChIKeyOMNYWTAMSGPOJG-UHFFFAOYSA-N
MW234.08 g/mol
LogP2.29
Rot. Bonds2

About methyl 2-(2-amino-4,6-dichlorophenyl)acetate

methyl 2-(2-amino-4,6-dichlorophenyl)acetate (PubChem CID 131482461) has the molecular formula C9H9Cl2NO2 and a molecular weight of 234.08 g/mol. Its IUPAC name is methyl 2-(2-amino-4,6-dichlorophenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-4,6-dichlorophenyl)acetate
PubChem CID131482461
Molecular FormulaC9H9Cl2NO2
Molecular Weight234.08 g/mol
Exact Mass233.00
IUPAC Namemethyl 2-(2-amino-4,6-dichlorophenyl)acetate
SMILESCOC(=O)Cc1c(N)cc(Cl)cc1Cl
InChIInChI=1S/C9H9Cl2NO2/c1-14-9(13)4-6-7(11)2-5(10)3-8(6)12/h2-3H,4,12H2,1H3
InChIKeyOMNYWTAMSGPOJG-UHFFFAOYSA-N
XLogP2.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.08
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[4-(bromomethyl)-2,6-dichlorophenyl]acetate
CID 59419500
methyl 2-(3,5-dichloro-2-fluorophenyl)acetate
CID 121228358
methyl 2-(2-chloro-4-formyl-6-methylphenyl)acetate
CID 171021659
methyl 2-(2-chloro-6-ethyl-4-iodophenyl)acetate
CID 86229799
methyl 3-amino-5-chloro-2-ethylbenzoate
CID 86672668
methyl 2-[2-(2-amino-4,6-dichloroanilino)-2-oxoethyl]sulfanylacetate
CID 43617977
methyl 2-[2-chloro-4-(chloromethyl)-6-methylphenyl]acetate
CID 171015797
methyl 5,7-dichloro-3-(2-methoxy-2-oxoethyl)-2-methylindole-1-carboxylate
CID 70383034
methyl 2-(3,5-dichloro-2-nitrophenyl)acetate
CID 134890332
methyl 2-(2,5-dichloro-3-hydroxyphenyl)acetate
CID 130779138
methyl 2-(3,6-diamino-2-methoxyphenyl)acetate
CID 171030798
methyl 2-(8-amino-6-chloroimidazo[1,2-a]pyridin-2-yl)acetate
CID 82059445

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-4,6-dichlorophenyl)acetate?
The IUPAC name of methyl 2-(2-amino-4,6-dichlorophenyl)acetate (CID 131482461) is methyl 2-(2-amino-4,6-dichlorophenyl)acetate.
What is the SMILES notation for methyl 2-(2-amino-4,6-dichlorophenyl)acetate?
The canonical SMILES for methyl 2-(2-amino-4,6-dichlorophenyl)acetate is COC(=O)Cc1c(N)cc(Cl)cc1Cl.
What is the InChIKey of methyl 2-(2-amino-4,6-dichlorophenyl)acetate?
The InChIKey is OMNYWTAMSGPOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2/c1-14-9(13)4-6-7(11)2-5(10)3-8(6)12/h2-3H,4,12H2,1H3.
What are the key properties of methyl 2-(2-amino-4,6-dichlorophenyl)acetate?
methyl 2-(2-amino-4,6-dichlorophenyl)acetate has a molecular weight of 234.08 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-4,6-dichlorophenyl)acetate is sourced from PubChem (CID 131482461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).