magnesium;1-chloro-3-propylbenzene;bromide

C9H10BrClMg — CID 88733615

IUPACmagnesium;1-chloro-3-propylbenzene;bromide
SMILES[Br-].[CH2-]CCc1cccc(Cl)c1.[Mg+2]
InChIInChI=1S/C9H10Cl.BrH.Mg/c1-2-4-8-5-3-6-9(10)7-8;;/h3,5-7H,1-2,4H2;1H;/q-1;;+2/p-1
InChIKeyHSHLEUGCRCIZEL-UHFFFAOYSA-M
MW257.84 g/mol
LogP-0.27
Rot. Bonds2

About magnesium;1-chloro-3-propylbenzene;bromide

magnesium;1-chloro-3-propylbenzene;bromide (PubChem CID 88733615) has the molecular formula C9H10BrClMg and a molecular weight of 257.84 g/mol. Its IUPAC name is magnesium;1-chloro-3-propylbenzene;bromide.

Molecular Properties

Compound Namemagnesium;1-chloro-3-propylbenzene;bromide
PubChem CID88733615
Molecular FormulaC9H10BrClMg
Molecular Weight257.84 g/mol
Exact Mass255.95
IUPAC Namemagnesium;1-chloro-3-propylbenzene;bromide
SMILES[Br-].[CH2-]CCc1cccc(Cl)c1.[Mg+2]
InChIInChI=1S/C9H10Cl.BrH.Mg/c1-2-4-8-5-3-6-9(10)7-8;;/h3,5-7H,1-2,4H2;1H;/q-1;;+2/p-1
InChIKeyHSHLEUGCRCIZEL-UHFFFAOYSA-M
XLogP-0.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.84
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-3-(3-fluoropropyl)benzene
CID 54201496
magnesium;(3-chlorophenyl)methanamine;hydride
CID 174518906
2-(3-chlorophenyl)ethyl-methylazanium
CID 42149679
3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
CID 70026802
1-chloro-3-octylbenzene
CID 11458768
lithium (3-chlorophenyl)methylazanide
CID 142040890
1-chloro-3-[[(3-chlorophenyl)methyldisulfanyl]methyl]benzene
CID 45377271
2-(3-chlorophenyl)ethyl-methyl-methylideneazanium
CID 123695552
3-(3-chlorophenyl)propanoate
CID 6946708
4-[3-(3-chlorophenyl)propyl]pyridine
CID 19783328
1-chloro-3-propylbenzene;formyl chloride
CID 174310499
2-[2-(3-chlorophenyl)ethyl]oxirane
CID 22123721

Frequently Asked Questions

What is the IUPAC name of magnesium;1-chloro-3-propylbenzene;bromide?
The IUPAC name of magnesium;1-chloro-3-propylbenzene;bromide (CID 88733615) is magnesium;1-chloro-3-propylbenzene;bromide.
What is the SMILES notation for magnesium;1-chloro-3-propylbenzene;bromide?
The canonical SMILES for magnesium;1-chloro-3-propylbenzene;bromide is [Br-].[CH2-]CCc1cccc(Cl)c1.[Mg+2].
What is the InChIKey of magnesium;1-chloro-3-propylbenzene;bromide?
The InChIKey is HSHLEUGCRCIZEL-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10Cl.BrH.Mg/c1-2-4-8-5-3-6-9(10)7-8;;/h3,5-7H,1-2,4H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-chloro-3-propylbenzene;bromide?
magnesium;1-chloro-3-propylbenzene;bromide has a molecular weight of 257.84 g/mol, XLogP of -0.27, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chloro-3-propylbenzene;bromide is sourced from PubChem (CID 88733615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).