(3,5-dicarbonochloridoylphenyl) carbonochloridate

C9H3Cl3O4 — CID 21468247

IUPAC(3,5-dicarbonochloridoylphenyl) carbonochloridate
SMILESO=C(Cl)Oc1cc(C(=O)Cl)cc(C(=O)Cl)c1
InChIInChI=1S/C9H3Cl3O4/c10-7(13)4-1-5(8(11)14)3-6(2-4)16-9(12)15/h1-3H
InChIKeyUMFBMIMWJUUXLR-UHFFFAOYSA-N
MW281.48 g/mol
LogP3.18
Rot. Bonds3

About (3,5-dicarbonochloridoylphenyl) carbonochloridate

(3,5-dicarbonochloridoylphenyl) carbonochloridate (PubChem CID 21468247) has the molecular formula C9H3Cl3O4 and a molecular weight of 281.48 g/mol. Its IUPAC name is (3,5-dicarbonochloridoylphenyl) carbonochloridate.

Molecular Properties

Compound Name(3,5-dicarbonochloridoylphenyl) carbonochloridate
PubChem CID21468247
Molecular FormulaC9H3Cl3O4
Molecular Weight281.48 g/mol
Exact Mass279.91
IUPAC Name(3,5-dicarbonochloridoylphenyl) carbonochloridate
SMILESO=C(Cl)Oc1cc(C(=O)Cl)cc(C(=O)Cl)c1
InChIInChI=1S/C9H3Cl3O4/c10-7(13)4-1-5(8(11)14)3-6(2-4)16-9(12)15/h1-3H
InChIKeyUMFBMIMWJUUXLR-UHFFFAOYSA-N
XLogP3.18
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dicarbonochloridoylphenyl) carbonochloridate?
The IUPAC name of (3,5-dicarbonochloridoylphenyl) carbonochloridate (CID 21468247) is (3,5-dicarbonochloridoylphenyl) carbonochloridate.
What is the SMILES notation for (3,5-dicarbonochloridoylphenyl) carbonochloridate?
The canonical SMILES for (3,5-dicarbonochloridoylphenyl) carbonochloridate is O=C(Cl)Oc1cc(C(=O)Cl)cc(C(=O)Cl)c1.
What is the InChIKey of (3,5-dicarbonochloridoylphenyl) carbonochloridate?
The InChIKey is UMFBMIMWJUUXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl3O4/c10-7(13)4-1-5(8(11)14)3-6(2-4)16-9(12)15/h1-3H.
What are the key properties of (3,5-dicarbonochloridoylphenyl) carbonochloridate?
(3,5-dicarbonochloridoylphenyl) carbonochloridate has a molecular weight of 281.48 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dicarbonochloridoylphenyl) carbonochloridate is sourced from PubChem (CID 21468247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).