sodium 1,3-dichlorobenzene-2-ide

C6H3Cl2Na — CID 155929884

IUPACsodium 1,3-dichlorobenzene-2-ide
SMILESClc1[c-]c(Cl)ccc1.[Na+]
InChIInChI=1S/C6H3Cl2.Na/c7-5-2-1-3-6(8)4-5;/h1-3H;/q-1;+1
InChIKeySVBUXGDEICNNBV-UHFFFAOYSA-N
MW168.99 g/mol
LogP-0.20
Rot. Bonds

About sodium 1,3-dichlorobenzene-2-ide

sodium 1,3-dichlorobenzene-2-ide (PubChem CID 155929884) has the molecular formula C6H3Cl2Na and a molecular weight of 168.99 g/mol. Its IUPAC name is sodium 1,3-dichlorobenzene-2-ide.

Molecular Properties

Compound Namesodium 1,3-dichlorobenzene-2-ide
PubChem CID155929884
Molecular FormulaC6H3Cl2Na
Molecular Weight168.99 g/mol
Exact Mass167.95
IUPAC Namesodium 1,3-dichlorobenzene-2-ide
SMILESClc1[c-]c(Cl)ccc1.[Na+]
InChIInChI=1S/C6H3Cl2.Na/c7-5-2-1-3-6(8)4-5;/h1-3H;/q-1;+1
InChIKeySVBUXGDEICNNBV-UHFFFAOYSA-N
XLogP-0.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.99
LogP ≤ 5-0.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

sodium;1,3-dichlorobenzene;hydride
CID 175271520
bismuthane;chlorobenzene
CID 174535973
azane;1,3-dichlorobenzene
CID 67301049
1,3-dichlorobenzene;trihydrofluoride
CID 172846672
sodium;chlorobenzene;hydride
CID 173115235
CID 162691770
CID 162691770
2,4-dichloro-1-methylbenzene-3-ide;yttrium
CID 59907881
1,3-dimethylbenzene-2-ide;iron
CID 175995533
1,3-difluorobenzene-2-ide;manganese
CID 135025289
1,3-difluorobenzene-2-ide;yttrium
CID 58618905
magnesium;1,3-dichlorobenzene;hydride
CID 173052292
cadmium(2+);bis(1,3-difluorobenzene-2-ide)
CID 177497167

Frequently Asked Questions

What is the IUPAC name of sodium 1,3-dichlorobenzene-2-ide?
The IUPAC name of sodium 1,3-dichlorobenzene-2-ide (CID 155929884) is sodium 1,3-dichlorobenzene-2-ide.
What is the SMILES notation for sodium 1,3-dichlorobenzene-2-ide?
The canonical SMILES for sodium 1,3-dichlorobenzene-2-ide is Clc1[c-]c(Cl)ccc1.[Na+].
What is the InChIKey of sodium 1,3-dichlorobenzene-2-ide?
The InChIKey is SVBUXGDEICNNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Cl2.Na/c7-5-2-1-3-6(8)4-5;/h1-3H;/q-1;+1.
What are the key properties of sodium 1,3-dichlorobenzene-2-ide?
sodium 1,3-dichlorobenzene-2-ide has a molecular weight of 168.99 g/mol, XLogP of -0.20, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1,3-dichlorobenzene-2-ide is sourced from PubChem (CID 155929884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).