3-tert-butyl-1,2,4,5-tetrachlorobenzene

C10H10Cl4 — CID 59752465

IUPAC3-tert-butyl-1,2,4,5-tetrachlorobenzene
SMILESCC(C)(C)c1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C10H10Cl4/c1-10(2,3)7-8(13)5(11)4-6(12)9(7)14/h4H,1-3H3
InChIKeyTYSIDSNPDSGFBO-UHFFFAOYSA-N
MW272.00 g/mol
LogP5.60
Rot. Bonds

About 3-tert-butyl-1,2,4,5-tetrachlorobenzene

3-tert-butyl-1,2,4,5-tetrachlorobenzene (PubChem CID 59752465) has the molecular formula C10H10Cl4 and a molecular weight of 272.00 g/mol. Its IUPAC name is 3-tert-butyl-1,2,4,5-tetrachlorobenzene.

Molecular Properties

Compound Name3-tert-butyl-1,2,4,5-tetrachlorobenzene
PubChem CID59752465
Molecular FormulaC10H10Cl4
Molecular Weight272.00 g/mol
Exact Mass269.95
IUPAC Name3-tert-butyl-1,2,4,5-tetrachlorobenzene
SMILESCC(C)(C)c1c(Cl)c(Cl)cc(Cl)c1Cl
InChIInChI=1S/C10H10Cl4/c1-10(2,3)7-8(13)5(11)4-6(12)9(7)14/h4H,1-3H3
InChIKeyTYSIDSNPDSGFBO-UHFFFAOYSA-N
XLogP5.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.00
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1,2,4,5-tetrachlorobenzene?
The IUPAC name of 3-tert-butyl-1,2,4,5-tetrachlorobenzene (CID 59752465) is 3-tert-butyl-1,2,4,5-tetrachlorobenzene.
What is the SMILES notation for 3-tert-butyl-1,2,4,5-tetrachlorobenzene?
The canonical SMILES for 3-tert-butyl-1,2,4,5-tetrachlorobenzene is CC(C)(C)c1c(Cl)c(Cl)cc(Cl)c1Cl.
What is the InChIKey of 3-tert-butyl-1,2,4,5-tetrachlorobenzene?
The InChIKey is TYSIDSNPDSGFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl4/c1-10(2,3)7-8(13)5(11)4-6(12)9(7)14/h4H,1-3H3.
What are the key properties of 3-tert-butyl-1,2,4,5-tetrachlorobenzene?
3-tert-butyl-1,2,4,5-tetrachlorobenzene has a molecular weight of 272.00 g/mol, XLogP of 5.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1,2,4,5-tetrachlorobenzene is sourced from PubChem (CID 59752465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).