3-chloro-1-(37Cl)chlorodibenzo-p-dioxin

C12H6Cl2O2 — CID 14392135

IUPAC3-chloro-1-(37Cl)chlorodibenzo-p-dioxin
SMILESClc1cc([37Cl])c2c(c1)Oc1ccccc1O2
InChIInChI=1S/C12H6Cl2O2/c13-7-5-8(14)12-11(6-7)15-9-3-1-2-4-10(9)16-12/h1-6H/i14+2
InChIKeyAZYJYMAKTBXNSX-HKGQFRNVSA-N
MW254.60 g/mol
LogP4.89
Rot. Bonds

About 3-chloro-1-(37Cl)chlorodibenzo-p-dioxin

3-chloro-1-(37Cl)chlorodibenzo-p-dioxin (PubChem CID 14392135) has the molecular formula C12H6Cl2O2 and a molecular weight of 254.60 g/mol. Its IUPAC name is 3-chloro-1-(37Cl)chlorodibenzo-p-dioxin.

Molecular Properties

Compound Name3-chloro-1-(37Cl)chlorodibenzo-p-dioxin
PubChem CID14392135
Molecular FormulaC12H6Cl2O2
Molecular Weight254.60 g/mol
Exact Mass253.97
IUPAC Name3-chloro-1-(37Cl)chlorodibenzo-p-dioxin
SMILESClc1cc([37Cl])c2c(c1)Oc1ccccc1O2
InChIInChI=1S/C12H6Cl2O2/c13-7-5-8(14)12-11(6-7)15-9-3-1-2-4-10(9)16-12/h1-6H/i14+2
InChIKeyAZYJYMAKTBXNSX-HKGQFRNVSA-N
XLogP4.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.60
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 840340
7-oxabicyclo[4.1.0]hepta-1,3,5-triene;sulfane
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1,3-dimethyldibenzo-p-dioxin
CID 131860997
1,4-dioxine;1,2,3,4-tetrachlorodibenzo-p-dioxin
CID 66898767
9-chloro-12H-[1,4]benzodioxino[2,3-a]carbazole
CID 118442132
1,4-diiododibenzo-p-dioxin
CID 172505013
dibenzo-p-dioxin-1,4-diamine
CID 45028383
4-[3-(3-aminodibenzo-p-dioxin-1-yl)phenyl]dibenzo-p-dioxin-2-amine
CID 70145384
benzo[a]oxanthren-5-yl-diphenyl-sulfanylidene-λ5-phosphane
CID 126501773
dibenzo-p-dioxin-2-amine
CID 1070744
thieno[3,4-b][1,4]benzodioxine-1,3-diamine
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thieno[3,4-b][1,4]benzodioxine
CID 11159801

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(37Cl)chlorodibenzo-p-dioxin?
The IUPAC name of 3-chloro-1-(37Cl)chlorodibenzo-p-dioxin (CID 14392135) is 3-chloro-1-(37Cl)chlorodibenzo-p-dioxin.
What is the SMILES notation for 3-chloro-1-(37Cl)chlorodibenzo-p-dioxin?
The canonical SMILES for 3-chloro-1-(37Cl)chlorodibenzo-p-dioxin is Clc1cc([37Cl])c2c(c1)Oc1ccccc1O2.
What is the InChIKey of 3-chloro-1-(37Cl)chlorodibenzo-p-dioxin?
The InChIKey is AZYJYMAKTBXNSX-HKGQFRNVSA-N. The full InChI is InChI=1S/C12H6Cl2O2/c13-7-5-8(14)12-11(6-7)15-9-3-1-2-4-10(9)16-12/h1-6H/i14+2.
What are the key properties of 3-chloro-1-(37Cl)chlorodibenzo-p-dioxin?
3-chloro-1-(37Cl)chlorodibenzo-p-dioxin has a molecular weight of 254.60 g/mol, XLogP of 4.89, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(37Cl)chlorodibenzo-p-dioxin is sourced from PubChem (CID 14392135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).