sodium;acetic acid;2,6-dichloro-N-phenylaniline

C14H12Cl2NNaO2 — CID 175727761

IUPACsodium;acetic acid;2,6-dichloro-N-phenylaniline
SMILESCC(=O)O.Clc1cccc(Cl)c1Nc1[c-]cccc1.[Na+]
InChIInChI=1S/C12H8Cl2N.C2H4O2.Na/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9;1-2(3)4;/h1-5,7-8,15H;1H3,(H,3,4);/q-1;;+1
InChIKeyYCBIHADQZUWQQZ-UHFFFAOYSA-N
MW320.15 g/mol
LogP1.63
Rot. Bonds2

About sodium;acetic acid;2,6-dichloro-N-phenylaniline

sodium;acetic acid;2,6-dichloro-N-phenylaniline (PubChem CID 175727761) has the molecular formula C14H12Cl2NNaO2 and a molecular weight of 320.15 g/mol. Its IUPAC name is sodium;acetic acid;2,6-dichloro-N-phenylaniline.

Molecular Properties

Compound Namesodium;acetic acid;2,6-dichloro-N-phenylaniline
PubChem CID175727761
Molecular FormulaC14H12Cl2NNaO2
Molecular Weight320.15 g/mol
Exact Mass319.01
IUPAC Namesodium;acetic acid;2,6-dichloro-N-phenylaniline
SMILESCC(=O)O.Clc1cccc(Cl)c1Nc1[c-]cccc1.[Na+]
InChIInChI=1S/C12H8Cl2N.C2H4O2.Na/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9;1-2(3)4;/h1-5,7-8,15H;1H3,(H,3,4);/q-1;;+1
InChIKeyYCBIHADQZUWQQZ-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.15
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of sodium;acetic acid;2,6-dichloro-N-phenylaniline?
The IUPAC name of sodium;acetic acid;2,6-dichloro-N-phenylaniline (CID 175727761) is sodium;acetic acid;2,6-dichloro-N-phenylaniline.
What is the SMILES notation for sodium;acetic acid;2,6-dichloro-N-phenylaniline?
The canonical SMILES for sodium;acetic acid;2,6-dichloro-N-phenylaniline is CC(=O)O.Clc1cccc(Cl)c1Nc1[c-]cccc1.[Na+].
What is the InChIKey of sodium;acetic acid;2,6-dichloro-N-phenylaniline?
The InChIKey is YCBIHADQZUWQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2N.C2H4O2.Na/c13-10-7-4-8-11(14)12(10)15-9-5-2-1-3-6-9;1-2(3)4;/h1-5,7-8,15H;1H3,(H,3,4);/q-1;;+1.
What are the key properties of sodium;acetic acid;2,6-dichloro-N-phenylaniline?
sodium;acetic acid;2,6-dichloro-N-phenylaniline has a molecular weight of 320.15 g/mol, XLogP of 1.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;acetic acid;2,6-dichloro-N-phenylaniline is sourced from PubChem (CID 175727761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).