sodium 2,2-bis(4-chlorophenyl)acetate

C14H9Cl2NaO2 — CID 23684836

IUPACsodium 2,2-bis(4-chlorophenyl)acetate
SMILESO=C([O-])C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[Na+]
InChIInChI=1S/C14H10Cl2O2.Na/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10;/h1-8,13H,(H,17,18);/q;+1/p-1
InChIKeySNSCNEGGZGAGBX-UHFFFAOYSA-M
MW303.12 g/mol
LogP-0.12
Rot. Bonds3

About sodium 2,2-bis(4-chlorophenyl)acetate

sodium 2,2-bis(4-chlorophenyl)acetate (PubChem CID 23684836) has the molecular formula C14H9Cl2NaO2 and a molecular weight of 303.12 g/mol. Its IUPAC name is sodium 2,2-bis(4-chlorophenyl)acetate.

Molecular Properties

Compound Namesodium 2,2-bis(4-chlorophenyl)acetate
PubChem CID23684836
Molecular FormulaC14H9Cl2NaO2
Molecular Weight303.12 g/mol
Exact Mass301.99
IUPAC Namesodium 2,2-bis(4-chlorophenyl)acetate
SMILESO=C([O-])C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[Na+]
InChIInChI=1S/C14H10Cl2O2.Na/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10;/h1-8,13H,(H,17,18);/q;+1/p-1
InChIKeySNSCNEGGZGAGBX-UHFFFAOYSA-M
XLogP-0.12
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.12
LogP ≤ 5-0.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 2,2-bis(4-chlorophenyl)acetate?
The IUPAC name of sodium 2,2-bis(4-chlorophenyl)acetate (CID 23684836) is sodium 2,2-bis(4-chlorophenyl)acetate.
What is the SMILES notation for sodium 2,2-bis(4-chlorophenyl)acetate?
The canonical SMILES for sodium 2,2-bis(4-chlorophenyl)acetate is O=C([O-])C(c1ccc(Cl)cc1)c1ccc(Cl)cc1.[Na+].
What is the InChIKey of sodium 2,2-bis(4-chlorophenyl)acetate?
The InChIKey is SNSCNEGGZGAGBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10Cl2O2.Na/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10;/h1-8,13H,(H,17,18);/q;+1/p-1.
What are the key properties of sodium 2,2-bis(4-chlorophenyl)acetate?
sodium 2,2-bis(4-chlorophenyl)acetate has a molecular weight of 303.12 g/mol, XLogP of -0.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,2-bis(4-chlorophenyl)acetate is sourced from PubChem (CID 23684836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).