magnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride

C7H3BrClMgN — CID 151662382

IUPACmagnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride
SMILESN#Cc1cc[c-]cc1Br.[Cl-].[Mg+2]
InChIInChI=1S/C7H3BrN.ClH.Mg/c8-7-4-2-1-3-6(7)5-9;;/h1,3-4H;1H;/q-1;;+2/p-1
InChIKeyBLOKVDPQFCNSIC-UHFFFAOYSA-M
MW240.77 g/mol
LogP-1.26
Rot. Bonds

About magnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride

magnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride (PubChem CID 151662382) has the molecular formula C7H3BrClMgN and a molecular weight of 240.77 g/mol. Its IUPAC name is magnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride.

Molecular Properties

Compound Namemagnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride
PubChem CID151662382
Molecular FormulaC7H3BrClMgN
Molecular Weight240.77 g/mol
Exact Mass238.90
IUPAC Namemagnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride
SMILESN#Cc1cc[c-]cc1Br.[Cl-].[Mg+2]
InChIInChI=1S/C7H3BrN.ClH.Mg/c8-7-4-2-1-3-6(7)5-9;;/h1,3-4H;1H;/q-1;;+2/p-1
InChIKeyBLOKVDPQFCNSIC-UHFFFAOYSA-M
XLogP-1.26
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.77
LogP ≤ 5-1.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of magnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride?
The IUPAC name of magnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride (CID 151662382) is magnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride.
What is the SMILES notation for magnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride?
The canonical SMILES for magnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride is N#Cc1cc[c-]cc1Br.[Cl-].[Mg+2].
What is the InChIKey of magnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride?
The InChIKey is BLOKVDPQFCNSIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H3BrN.ClH.Mg/c8-7-4-2-1-3-6(7)5-9;;/h1,3-4H;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride?
magnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride has a molecular weight of 240.77 g/mol, XLogP of -1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;2-bromobenzene-4-ide-1-carbonitrile;chloride is sourced from PubChem (CID 151662382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).