magnesium;1-bromo-4-propylbenzene;hydride

C9H13BrMg — CID 173224874

IUPACmagnesium;1-bromo-4-propylbenzene;hydride
SMILESCCCc1ccc(Br)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C9H11Br.Mg.2H/c1-2-3-8-4-6-9(10)7-5-8;;;/h4-7H,2-3H2,1H3;;;/q;+2;2*-1
InChIKeyHTHKZNLMEGNXEZ-UHFFFAOYSA-N
MW225.41 g/mol
LogP3.25
Rot. Bonds2

About magnesium;1-bromo-4-propylbenzene;hydride

magnesium;1-bromo-4-propylbenzene;hydride (PubChem CID 173224874) has the molecular formula C9H13BrMg and a molecular weight of 225.41 g/mol. Its IUPAC name is magnesium;1-bromo-4-propylbenzene;hydride.

Molecular Properties

Compound Namemagnesium;1-bromo-4-propylbenzene;hydride
PubChem CID173224874
Molecular FormulaC9H13BrMg
Molecular Weight225.41 g/mol
Exact Mass224.01
IUPAC Namemagnesium;1-bromo-4-propylbenzene;hydride
SMILESCCCc1ccc(Br)cc1.[H-].[H-].[Mg+2]
InChIInChI=1S/C9H11Br.Mg.2H/c1-2-3-8-4-6-9(10)7-5-8;;;/h4-7H,2-3H2,1H3;;;/q;+2;2*-1
InChIKeyHTHKZNLMEGNXEZ-UHFFFAOYSA-N
XLogP3.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-[2-(4-bromophenyl)ethyl]benzene
CID 12594240
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-tetradecylbenzene
CID 71337489
1-bromo-4-ethylbenzene
CID 15313
1-propyl-4-[(4-propylphenyl)methyl]benzene
CID 4064340
1-propyl-4-[2-[2-(4-propylphenyl)ethylperoxy]ethyl]benzene
CID 174424801
(4-propylphenyl) 4-bromobenzoate
CID 19184745
2-N-[(4-bromophenyl)methyl]-1-N-[(4-propylphenyl)methyl]cyclohexane-1,2-diamine
CID 71500072
1-bromo-4-(3,3-difluorobutyl)benzene
CID 84706880
4-bromo-2-fluoro-1-(4-propylphenyl)benzene
CID 22717506
potassium;hydride;propylbenzene
CID 174749122

Frequently Asked Questions

What is the IUPAC name of magnesium;1-bromo-4-propylbenzene;hydride?
The IUPAC name of magnesium;1-bromo-4-propylbenzene;hydride (CID 173224874) is magnesium;1-bromo-4-propylbenzene;hydride.
What is the SMILES notation for magnesium;1-bromo-4-propylbenzene;hydride?
The canonical SMILES for magnesium;1-bromo-4-propylbenzene;hydride is CCCc1ccc(Br)cc1.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;1-bromo-4-propylbenzene;hydride?
The InChIKey is HTHKZNLMEGNXEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br.Mg.2H/c1-2-3-8-4-6-9(10)7-5-8;;;/h4-7H,2-3H2,1H3;;;/q;+2;2*-1.
What are the key properties of magnesium;1-bromo-4-propylbenzene;hydride?
magnesium;1-bromo-4-propylbenzene;hydride has a molecular weight of 225.41 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-bromo-4-propylbenzene;hydride is sourced from PubChem (CID 173224874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).