8-bromo-6-chloro-4H-1,3-benzodioxine

C8H6BrClO2 — CID 14520335

IUPAC8-bromo-6-chloro-4H-1,3-benzodioxine
SMILESClc1cc(Br)c2c(c1)COCO2
InChIInChI=1S/C8H6BrClO2/c9-7-2-6(10)1-5-3-11-4-12-8(5)7/h1-2H,3-4H2
InChIKeyIHUUOTBYUCJRSN-UHFFFAOYSA-N
MW249.49 g/mol
LogP2.97
Rot. Bonds

About 8-bromo-6-chloro-4H-1,3-benzodioxine

8-bromo-6-chloro-4H-1,3-benzodioxine (PubChem CID 14520335) has the molecular formula C8H6BrClO2 and a molecular weight of 249.49 g/mol. Its IUPAC name is 8-bromo-6-chloro-4H-1,3-benzodioxine.

Molecular Properties

Compound Name8-bromo-6-chloro-4H-1,3-benzodioxine
PubChem CID14520335
Molecular FormulaC8H6BrClO2
Molecular Weight249.49 g/mol
Exact Mass247.92
IUPAC Name8-bromo-6-chloro-4H-1,3-benzodioxine
SMILESClc1cc(Br)c2c(c1)COCO2
InChIInChI=1S/C8H6BrClO2/c9-7-2-6(10)1-5-3-11-4-12-8(5)7/h1-2H,3-4H2
InChIKeyIHUUOTBYUCJRSN-UHFFFAOYSA-N
XLogP2.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.49
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-chloro-4H-1,3-benzodioxin-8-yl)methanol
CID 16770161
6-chloro-4H-1,3-benzodioxine-8-carbaldehyde
CID 3973413
1-(8-bromo-4H-1,3-benzodioxin-6-yl)ethanone
CID 83901380
6-chloro-8-(ethylsulfanylmethyl)-4H-1,3-benzodioxine
CID 165347689
1-(6-chloro-4H-1,3-benzodioxin-8-yl)propan-2-amine
CID 83893022
N-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N-methylethanamine
CID 60516856
1-(8-bromo-4H-1,3-benzodioxin-6-yl)propan-2-one
CID 83903509
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]cyclopropan-1-ol
CID 117354002
1-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]pyridin-1-ium
CID 2804478
(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-diethylazanium chloride
CID 18528283
4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]pyridine
CID 97237765
2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 60686621

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-4H-1,3-benzodioxine?
The IUPAC name of 8-bromo-6-chloro-4H-1,3-benzodioxine (CID 14520335) is 8-bromo-6-chloro-4H-1,3-benzodioxine.
What is the SMILES notation for 8-bromo-6-chloro-4H-1,3-benzodioxine?
The canonical SMILES for 8-bromo-6-chloro-4H-1,3-benzodioxine is Clc1cc(Br)c2c(c1)COCO2.
What is the InChIKey of 8-bromo-6-chloro-4H-1,3-benzodioxine?
The InChIKey is IHUUOTBYUCJRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClO2/c9-7-2-6(10)1-5-3-11-4-12-8(5)7/h1-2H,3-4H2.
What are the key properties of 8-bromo-6-chloro-4H-1,3-benzodioxine?
8-bromo-6-chloro-4H-1,3-benzodioxine has a molecular weight of 249.49 g/mol, XLogP of 2.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-4H-1,3-benzodioxine is sourced from PubChem (CID 14520335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).