magnesium;4-bromo-1-chloro-2-fluorobenzene;hydride

C6H5BrClFMg — CID 173042534

IUPACmagnesium;4-bromo-1-chloro-2-fluorobenzene;hydride
SMILESFc1cc(Br)ccc1Cl.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H3BrClF.Mg.2H/c7-4-1-2-5(8)6(9)3-4;;;/h1-3H;;;/q;+2;2*-1
InChIKeyYVYUIWZUBDUZGE-UHFFFAOYSA-N
MW235.77 g/mol
LogP3.09
Rot. Bonds

About magnesium;4-bromo-1-chloro-2-fluorobenzene;hydride

magnesium;4-bromo-1-chloro-2-fluorobenzene;hydride (PubChem CID 173042534) has the molecular formula C6H5BrClFMg and a molecular weight of 235.77 g/mol. Its IUPAC name is magnesium;4-bromo-1-chloro-2-fluorobenzene;hydride.

Molecular Properties

Compound Namemagnesium;4-bromo-1-chloro-2-fluorobenzene;hydride
PubChem CID173042534
Molecular FormulaC6H5BrClFMg
Molecular Weight235.77 g/mol
Exact Mass233.91
IUPAC Namemagnesium;4-bromo-1-chloro-2-fluorobenzene;hydride
SMILESFc1cc(Br)ccc1Cl.[H-].[H-].[Mg+2]
InChIInChI=1S/C6H3BrClF.Mg.2H/c7-4-1-2-5(8)6(9)3-4;;;/h1-3H;;;/q;+2;2*-1
InChIKeyYVYUIWZUBDUZGE-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.77
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanone
CID 107996296
4-bromo-1,2-difluorobenzene;dihydrofluoride
CID 174492303
1-(5-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894369
N-[1-(4-bromo-2-chlorophenyl)ethyl]-4-chloro-3-fluoroaniline
CID 82773327
1-[bromo-(5-bromo-2-chlorophenyl)methyl]-2,4,5-trifluorobenzene
CID 103304119
1-(4-bromophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107883490
4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 107991747
5-bromo-N-[(4-chloro-3-fluorophenyl)methyl]-2-methylaniline
CID 63445396
1-chloro-2-fluoro-4-iodobenzene
CID 2736563
4-chloro-3-fluoroaniline
CID 2736511
1-(5-bromo-2-fluorophenyl)-2-chloro-4-(2,5-dichlorophenyl)-5-fluorobenzene
CID 123513311
5-bromo-2-(4-chloro-3-fluorophenoxy)pyridine
CID 82716834

Frequently Asked Questions

What is the IUPAC name of magnesium;4-bromo-1-chloro-2-fluorobenzene;hydride?
The IUPAC name of magnesium;4-bromo-1-chloro-2-fluorobenzene;hydride (CID 173042534) is magnesium;4-bromo-1-chloro-2-fluorobenzene;hydride.
What is the SMILES notation for magnesium;4-bromo-1-chloro-2-fluorobenzene;hydride?
The canonical SMILES for magnesium;4-bromo-1-chloro-2-fluorobenzene;hydride is Fc1cc(Br)ccc1Cl.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;4-bromo-1-chloro-2-fluorobenzene;hydride?
The InChIKey is YVYUIWZUBDUZGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3BrClF.Mg.2H/c7-4-1-2-5(8)6(9)3-4;;;/h1-3H;;;/q;+2;2*-1.
What are the key properties of magnesium;4-bromo-1-chloro-2-fluorobenzene;hydride?
magnesium;4-bromo-1-chloro-2-fluorobenzene;hydride has a molecular weight of 235.77 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-bromo-1-chloro-2-fluorobenzene;hydride is sourced from PubChem (CID 173042534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).