disodium;3,5-dichlorophthalate

C8H2Cl2Na2O4 — CID 101143275

IUPACdisodium;3,5-dichlorophthalate
SMILESO=C([O-])c1cc(Cl)cc(Cl)c1C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C8H4Cl2O4.2Na/c9-3-1-4(7(11)12)6(8(13)14)5(10)2-3;;/h1-2H,(H,11,12)(H,13,14);;/q;2*+1/p-2
InChIKeyKILNGNWVEVXWBM-UHFFFAOYSA-L
MW278.99 g/mol
LogP-6.27
Rot. Bonds2

About disodium;3,5-dichlorophthalate

disodium;3,5-dichlorophthalate (PubChem CID 101143275) has the molecular formula C8H2Cl2Na2O4 and a molecular weight of 278.99 g/mol. Its IUPAC name is disodium;3,5-dichlorophthalate.

Molecular Properties

Compound Namedisodium;3,5-dichlorophthalate
PubChem CID101143275
Molecular FormulaC8H2Cl2Na2O4
Molecular Weight278.99 g/mol
Exact Mass277.91
IUPAC Namedisodium;3,5-dichlorophthalate
SMILESO=C([O-])c1cc(Cl)cc(Cl)c1C(=O)[O-].[Na+].[Na+]
InChIInChI=1S/C8H4Cl2O4.2Na/c9-3-1-4(7(11)12)6(8(13)14)5(10)2-3;;/h1-2H,(H,11,12)(H,13,14);;/q;2*+1/p-2
InChIKeyKILNGNWVEVXWBM-UHFFFAOYSA-L
XLogP-6.27
TPSA80.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.99
LogP ≤ 5-6.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

sodium 5-bromo-2-chlorobenzoate
CID 138319500
2,4,6-trichlorobenzoyl fluoride
CID 154123611
diazanium;5-chloro-2,4-difluorobenzene-1,3-dicarboxylate
CID 139754124
2,5-dichloro-3-(dihydroxyamino)benzoate
CID 163181517
hexasodium;naphthalene-1,2,3,4,6,7-hexacarboxylate
CID 101297564
dicalcium;benzene-1,2,3,5-tetracarboxylate
CID 101297418
tetrakis(3,5-dichloro-2-hydroxybenzoic acid);titanium
CID 170560520
potassium 5-bromo-2-chlorobenzoate
CID 23680159
sodium 4-chloro-2,5-dimethylbenzoate
CID 141218473
sodium 2,4-dichloro-5-fluorobenzoate
CID 154641666
disodium;3,5-dichloro-4-oxidobenzoate
CID 6454109
3,5-dichloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 7022994

Frequently Asked Questions

What is the IUPAC name of disodium;3,5-dichlorophthalate?
The IUPAC name of disodium;3,5-dichlorophthalate (CID 101143275) is disodium;3,5-dichlorophthalate.
What is the SMILES notation for disodium;3,5-dichlorophthalate?
The canonical SMILES for disodium;3,5-dichlorophthalate is O=C([O-])c1cc(Cl)cc(Cl)c1C(=O)[O-].[Na+].[Na+].
What is the InChIKey of disodium;3,5-dichlorophthalate?
The InChIKey is KILNGNWVEVXWBM-UHFFFAOYSA-L. The full InChI is InChI=1S/C8H4Cl2O4.2Na/c9-3-1-4(7(11)12)6(8(13)14)5(10)2-3;;/h1-2H,(H,11,12)(H,13,14);;/q;2*+1/p-2.
What are the key properties of disodium;3,5-dichlorophthalate?
disodium;3,5-dichlorophthalate has a molecular weight of 278.99 g/mol, XLogP of -6.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;3,5-dichlorophthalate is sourced from PubChem (CID 101143275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).