4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran

C14H8Br2Cl2O — CID 68939110

IUPAC4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran
SMILESClc1ccc2c(oc3c(CBr)c(Cl)ccc32)c1CBr
InChIInChI=1S/C14H8Br2Cl2O/c15-5-9-11(17)3-1-7-8-2-4-12(18)10(6-16)14(8)19-13(7)9/h1-4H,5-6H2
InChIKeySCBIBHIFTCOIQW-UHFFFAOYSA-N
MW422.93 g/mol
LogP6.68
Rot. Bonds2

About 4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran

4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran (PubChem CID 68939110) has the molecular formula C14H8Br2Cl2O and a molecular weight of 422.93 g/mol. Its IUPAC name is 4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran.

Molecular Properties

Compound Name4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran
PubChem CID68939110
Molecular FormulaC14H8Br2Cl2O
Molecular Weight422.93 g/mol
Exact Mass419.83
IUPAC Name4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran
SMILESClc1ccc2c(oc3c(CBr)c(Cl)ccc32)c1CBr
InChIInChI=1S/C14H8Br2Cl2O/c15-5-9-11(17)3-1-7-8-2-4-12(18)10(6-16)14(8)19-13(7)9/h1-4H,5-6H2
InChIKeySCBIBHIFTCOIQW-UHFFFAOYSA-N
XLogP6.68
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.93
LogP ≤ 56.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran?
The IUPAC name of 4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran (CID 68939110) is 4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran.
What is the SMILES notation for 4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran?
The canonical SMILES for 4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran is Clc1ccc2c(oc3c(CBr)c(Cl)ccc32)c1CBr.
What is the InChIKey of 4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran?
The InChIKey is SCBIBHIFTCOIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2Cl2O/c15-5-9-11(17)3-1-7-8-2-4-12(18)10(6-16)14(8)19-13(7)9/h1-4H,5-6H2.
What are the key properties of 4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran?
4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran has a molecular weight of 422.93 g/mol, XLogP of 6.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(bromomethyl)-3,7-dichlorodibenzofuran is sourced from PubChem (CID 68939110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).