6,7-dichloro-4H-1,3-benzodioxine

C8H6Cl2O2 — CID 90695645

IUPAC6,7-dichloro-4H-1,3-benzodioxine
SMILESClc1cc2c(cc1Cl)OCOC2
InChIInChI=1S/C8H6Cl2O2/c9-6-1-5-3-11-4-12-8(5)2-7(6)10/h1-2H,3-4H2
InChIKeyFDTHVHWNUOUQBJ-UHFFFAOYSA-N
MW205.04 g/mol
LogP2.86
Rot. Bonds

About 6,7-dichloro-4H-1,3-benzodioxine

6,7-dichloro-4H-1,3-benzodioxine (PubChem CID 90695645) has the molecular formula C8H6Cl2O2 and a molecular weight of 205.04 g/mol. Its IUPAC name is 6,7-dichloro-4H-1,3-benzodioxine.

Molecular Properties

Compound Name6,7-dichloro-4H-1,3-benzodioxine
PubChem CID90695645
Molecular FormulaC8H6Cl2O2
Molecular Weight205.04 g/mol
Exact Mass203.97
IUPAC Name6,7-dichloro-4H-1,3-benzodioxine
SMILESClc1cc2c(cc1Cl)OCOC2
InChIInChI=1S/C8H6Cl2O2/c9-6-1-5-3-11-4-12-8(5)2-7(6)10/h1-2H,3-4H2
InChIKeyFDTHVHWNUOUQBJ-UHFFFAOYSA-N
XLogP2.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.04
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

O-[(6-chloro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine
CID 117307236
2-(6-chloro-4H-1,3-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117358844
2-(6-chloro-4H-1,3-benzodioxin-7-yl)piperidine
CID 117387272
3-(6-chloro-4H-1,3-benzodioxin-7-yl)-3-methylbutanoic acid
CID 117429709
1-(6-chloro-4H-1,3-benzodioxin-7-yl)cyclobutane-1-carboxylic acid
CID 117425098
5-chloro-6-iodo-1,3-dihydro-2-benzofuran
CID 166545060
6,8-dichloro-3-oxabicyclo[3.2.2]nona-1(7),5,8-triene
CID 175432366
3-amino-2-(6-chloro-4H-1,3-benzodioxin-7-yl)propanoic acid
CID 117397486
5-chloro-6-iodo-1,3-benzodioxole
CID 57443616
2-(6-fluoro-4H-1,3-benzodioxin-7-yl)propan-2-amine
CID 117301446
N-[(6-fluoro-4H-1,3-benzodioxin-7-yl)methyl]hydroxylamine
CID 117288231
2-(6-bromo-4H-1,3-benzodioxin-7-yl)-2-methylpropan-1-ol
CID 117463067

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4H-1,3-benzodioxine?
The IUPAC name of 6,7-dichloro-4H-1,3-benzodioxine (CID 90695645) is 6,7-dichloro-4H-1,3-benzodioxine.
What is the SMILES notation for 6,7-dichloro-4H-1,3-benzodioxine?
The canonical SMILES for 6,7-dichloro-4H-1,3-benzodioxine is Clc1cc2c(cc1Cl)OCOC2.
What is the InChIKey of 6,7-dichloro-4H-1,3-benzodioxine?
The InChIKey is FDTHVHWNUOUQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O2/c9-6-1-5-3-11-4-12-8(5)2-7(6)10/h1-2H,3-4H2.
What are the key properties of 6,7-dichloro-4H-1,3-benzodioxine?
6,7-dichloro-4H-1,3-benzodioxine has a molecular weight of 205.04 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4H-1,3-benzodioxine is sourced from PubChem (CID 90695645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).