magnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide

C14H9Br2FMgO2 — CID 23403100

IUPACmagnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide
SMILESO=C(c1ccc(F)cc1)c1ccc(Br)cc1C[O-].[Br-].[Mg+2]
InChIInChI=1S/C14H9BrFO2.BrH.Mg/c15-11-3-6-13(10(7-11)8-17)14(18)9-1-4-12(16)5-2-9;;/h1-7H,8H2;1H;/q-1;;+2/p-1
InChIKeyWPLCOYDHYVLQGO-UHFFFAOYSA-M
MW412.34 g/mol
LogP-0.70
Rot. Bonds3

About magnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide

magnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide (PubChem CID 23403100) has the molecular formula C14H9Br2FMgO2 and a molecular weight of 412.34 g/mol. Its IUPAC name is magnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide.

Molecular Properties

Compound Namemagnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide
PubChem CID23403100
Molecular FormulaC14H9Br2FMgO2
Molecular Weight412.34 g/mol
Exact Mass409.88
IUPAC Namemagnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide
SMILESO=C(c1ccc(F)cc1)c1ccc(Br)cc1C[O-].[Br-].[Mg+2]
InChIInChI=1S/C14H9BrFO2.BrH.Mg/c15-11-3-6-13(10(7-11)8-17)14(18)9-1-4-12(16)5-2-9;;/h1-7H,8H2;1H;/q-1;;+2/p-1
InChIKeyWPLCOYDHYVLQGO-UHFFFAOYSA-M
XLogP-0.70
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.34
LogP ≤ 5-0.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of magnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide?
The IUPAC name of magnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide (CID 23403100) is magnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide.
What is the SMILES notation for magnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide?
The canonical SMILES for magnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide is O=C(c1ccc(F)cc1)c1ccc(Br)cc1C[O-].[Br-].[Mg+2].
What is the InChIKey of magnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide?
The InChIKey is WPLCOYDHYVLQGO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H9BrFO2.BrH.Mg/c15-11-3-6-13(10(7-11)8-17)14(18)9-1-4-12(16)5-2-9;;/h1-7H,8H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide?
magnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide has a molecular weight of 412.34 g/mol, XLogP of -0.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;[5-bromo-2-(4-fluorobenzoyl)phenyl]methanolate;bromide is sourced from PubChem (CID 23403100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).