magnesium;1-bromo-2-chlorobenzene;dichloride

C6H4BrCl3Mg — CID 175054849

IUPACmagnesium;1-bromo-2-chlorobenzene;dichloride
SMILESClc1ccccc1Br.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C6H4BrCl.2ClH.Mg/c7-5-3-1-2-4-6(5)8;;;/h1-4H;2*1H;/q;;;+2/p-2
InChIKeyKGNNCCXBJZJISC-UHFFFAOYSA-L
MW286.67 g/mol
LogP-3.27
Rot. Bonds

About magnesium;1-bromo-2-chlorobenzene;dichloride

magnesium;1-bromo-2-chlorobenzene;dichloride (PubChem CID 175054849) has the molecular formula C6H4BrCl3Mg and a molecular weight of 286.67 g/mol. Its IUPAC name is magnesium;1-bromo-2-chlorobenzene;dichloride.

Molecular Properties

Compound Namemagnesium;1-bromo-2-chlorobenzene;dichloride
PubChem CID175054849
Molecular FormulaC6H4BrCl3Mg
Molecular Weight286.67 g/mol
Exact Mass283.84
IUPAC Namemagnesium;1-bromo-2-chlorobenzene;dichloride
SMILESClc1ccccc1Br.[Cl-].[Cl-].[Mg+2]
InChIInChI=1S/C6H4BrCl.2ClH.Mg/c7-5-3-1-2-4-6(5)8;;;/h1-4H;2*1H;/q;;;+2/p-2
InChIKeyKGNNCCXBJZJISC-UHFFFAOYSA-L
XLogP-3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 5-3.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of magnesium;1-bromo-2-chlorobenzene;dichloride?
The IUPAC name of magnesium;1-bromo-2-chlorobenzene;dichloride (CID 175054849) is magnesium;1-bromo-2-chlorobenzene;dichloride.
What is the SMILES notation for magnesium;1-bromo-2-chlorobenzene;dichloride?
The canonical SMILES for magnesium;1-bromo-2-chlorobenzene;dichloride is Clc1ccccc1Br.[Cl-].[Cl-].[Mg+2].
What is the InChIKey of magnesium;1-bromo-2-chlorobenzene;dichloride?
The InChIKey is KGNNCCXBJZJISC-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H4BrCl.2ClH.Mg/c7-5-3-1-2-4-6(5)8;;;/h1-4H;2*1H;/q;;;+2/p-2.
What are the key properties of magnesium;1-bromo-2-chlorobenzene;dichloride?
magnesium;1-bromo-2-chlorobenzene;dichloride has a molecular weight of 286.67 g/mol, XLogP of -3.27, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-bromo-2-chlorobenzene;dichloride is sourced from PubChem (CID 175054849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).