sodium 2-(2,6-dichlorophenyl)acetate

C8H5Cl2NaO2 — CID 153409108

IUPACsodium 2-(2,6-dichlorophenyl)acetate
SMILESO=C([O-])Cc1c(Cl)cccc1Cl.[Na+]
InChIInChI=1S/C8H6Cl2O2.Na/c9-6-2-1-3-7(10)5(6)4-8(11)12;/h1-3H,4H2,(H,11,12);/q;+1/p-1
InChIKeyZQIHVYYBAVPKQQ-UHFFFAOYSA-M
MW227.02 g/mol
LogP-1.71
Rot. Bonds2

About sodium 2-(2,6-dichlorophenyl)acetate

sodium 2-(2,6-dichlorophenyl)acetate (PubChem CID 153409108) has the molecular formula C8H5Cl2NaO2 and a molecular weight of 227.02 g/mol. Its IUPAC name is sodium 2-(2,6-dichlorophenyl)acetate.

Molecular Properties

Compound Namesodium 2-(2,6-dichlorophenyl)acetate
PubChem CID153409108
Molecular FormulaC8H5Cl2NaO2
Molecular Weight227.02 g/mol
Exact Mass225.96
IUPAC Namesodium 2-(2,6-dichlorophenyl)acetate
SMILESO=C([O-])Cc1c(Cl)cccc1Cl.[Na+]
InChIInChI=1S/C8H6Cl2O2.Na/c9-6-2-1-3-7(10)5(6)4-8(11)12;/h1-3H,4H2,(H,11,12);/q;+1/p-1
InChIKeyZQIHVYYBAVPKQQ-UHFFFAOYSA-M
XLogP-1.71
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.02
LogP ≤ 5-1.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-(2,6-dichlorophenyl)propan-2-one
CID 63409565
sodium 2-(2,6-dichloroanilino)acetate
CID 23676612
1-(2,6-dichlorophenyl)-5,5,5-trifluoropentan-2-one
CID 64567976
1-(4-chlorophenyl)-2-(2,6-dichlorophenyl)ethanone
CID 63411340
N-[bis(15N)(azanyl)(113C)methylidene]-2-(2,6-dichlorophenyl)acetamide
CID 171391513
(E)-3-[(2,6-dichlorophenyl)methyl]-4-hydroxypent-3-en-2-one
CID 7075005
2-[4-[(2,6-dichlorophenyl)sulfonylamino]phenyl]acetate
CID 7042035
N-cyclopropyl-2-(2,6-dichlorophenyl)acetamide
CID 2682749
lithium 2-(3-chloro-2-pyridinyl)acetate
CID 133054150
1-(2,6-dichlorophenyl)-4-methylpent-4-en-2-one
CID 79179750
1-(2,6-dichlorophenyl)-3-(dimethylamino)-3-methylbutan-2-one
CID 79046022
2-[3-(carboxylatomethyl)phenyl]acetate
CID 6931669

Frequently Asked Questions

What is the IUPAC name of sodium 2-(2,6-dichlorophenyl)acetate?
The IUPAC name of sodium 2-(2,6-dichlorophenyl)acetate (CID 153409108) is sodium 2-(2,6-dichlorophenyl)acetate.
What is the SMILES notation for sodium 2-(2,6-dichlorophenyl)acetate?
The canonical SMILES for sodium 2-(2,6-dichlorophenyl)acetate is O=C([O-])Cc1c(Cl)cccc1Cl.[Na+].
What is the InChIKey of sodium 2-(2,6-dichlorophenyl)acetate?
The InChIKey is ZQIHVYYBAVPKQQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H6Cl2O2.Na/c9-6-2-1-3-7(10)5(6)4-8(11)12;/h1-3H,4H2,(H,11,12);/q;+1/p-1.
What are the key properties of sodium 2-(2,6-dichlorophenyl)acetate?
sodium 2-(2,6-dichlorophenyl)acetate has a molecular weight of 227.02 g/mol, XLogP of -1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-(2,6-dichlorophenyl)acetate is sourced from PubChem (CID 153409108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).