formic acid;1,2,3,4,5-pentachlorobenzene

C7H3Cl5O2 — CID 159674578

IUPACformic acid;1,2,3,4,5-pentachlorobenzene
SMILESClc1cc(Cl)c(Cl)c(Cl)c1Cl.O=CO
InChIInChI=1S/C6HCl5.CH2O2/c7-2-1-3(8)5(10)6(11)4(2)9;2-1-3/h1H;1H,(H,2,3)
InChIKeyMUKWXERMWYDEJN-UHFFFAOYSA-N
MW296.36 g/mol
LogP4.65
Rot. Bonds

About formic acid;1,2,3,4,5-pentachlorobenzene

formic acid;1,2,3,4,5-pentachlorobenzene (PubChem CID 159674578) has the molecular formula C7H3Cl5O2 and a molecular weight of 296.36 g/mol. Its IUPAC name is formic acid;1,2,3,4,5-pentachlorobenzene.

Molecular Properties

Compound Nameformic acid;1,2,3,4,5-pentachlorobenzene
PubChem CID159674578
Molecular FormulaC7H3Cl5O2
Molecular Weight296.36 g/mol
Exact Mass293.86
IUPAC Nameformic acid;1,2,3,4,5-pentachlorobenzene
SMILESClc1cc(Cl)c(Cl)c(Cl)c1Cl.O=CO
InChIInChI=1S/C6HCl5.CH2O2/c7-2-1-3(8)5(10)6(11)4(2)9;2-1-3/h1H;1H,(H,2,3)
InChIKeyMUKWXERMWYDEJN-UHFFFAOYSA-N
XLogP4.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.36
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formic acid;1,2,3,4,5-pentachlorobenzene?
The IUPAC name of formic acid;1,2,3,4,5-pentachlorobenzene (CID 159674578) is formic acid;1,2,3,4,5-pentachlorobenzene.
What is the SMILES notation for formic acid;1,2,3,4,5-pentachlorobenzene?
The canonical SMILES for formic acid;1,2,3,4,5-pentachlorobenzene is Clc1cc(Cl)c(Cl)c(Cl)c1Cl.O=CO.
What is the InChIKey of formic acid;1,2,3,4,5-pentachlorobenzene?
The InChIKey is MUKWXERMWYDEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl5.CH2O2/c7-2-1-3(8)5(10)6(11)4(2)9;2-1-3/h1H;1H,(H,2,3).
What are the key properties of formic acid;1,2,3,4,5-pentachlorobenzene?
formic acid;1,2,3,4,5-pentachlorobenzene has a molecular weight of 296.36 g/mol, XLogP of 4.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;1,2,3,4,5-pentachlorobenzene is sourced from PubChem (CID 159674578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).