magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide

C13H9BrClFMgO — CID 91656484

IUPACmagnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide
SMILESFc1cc(OCc2cc[c-]cc2)ccc1Cl.[Br-].[Mg+2]
InChIInChI=1S/C13H9ClFO.BrH.Mg/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10;;/h2-8H,9H2;1H;/q-1;;+2/p-1
InChIKeyCNHZLTVWOLWYEJ-UHFFFAOYSA-M
MW339.87 g/mol
LogP0.48
Rot. Bonds3

About magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide

magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide (PubChem CID 91656484) has the molecular formula C13H9BrClFMgO and a molecular weight of 339.87 g/mol. Its IUPAC name is magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide.

Molecular Properties

Compound Namemagnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide
PubChem CID91656484
Molecular FormulaC13H9BrClFMgO
Molecular Weight339.87 g/mol
Exact Mass337.94
IUPAC Namemagnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide
SMILESFc1cc(OCc2cc[c-]cc2)ccc1Cl.[Br-].[Mg+2]
InChIInChI=1S/C13H9ClFO.BrH.Mg/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10;;/h2-8H,9H2;1H;/q-1;;+2/p-1
InChIKeyCNHZLTVWOLWYEJ-UHFFFAOYSA-M
XLogP0.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 50.48
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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Related Compounds

bromozinc(1+);1,2-difluoro-4-(phenylmethoxy)benzene
CID 146001900
1-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]-N-methylmethanamine
CID 82727211
2-chloro-4-[(4-chloro-3-fluorophenyl)methoxy]aniline
CID 107878038
3-[4-[(4-chloro-3-fluorophenoxy)methyl]phenyl]prop-2-yn-1-ol
CID 82717242
5-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]aniline
CID 82716394
4-chloro-2-[(4-chloro-3-fluorophenoxy)methyl]pyridine
CID 82716789
magnesium;2,4-difluoro-1-(phenylmethoxy)benzene;bromide
CID 91656518
magnesium;1,4-difluoro-2-(phenylmethoxy)benzene;bromide
CID 91655643
4-[(4-chloro-3-fluorophenoxy)methyl]-1-methylpyrazole
CID 82704701
2-[4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]acetonitrile
CID 102794503
2-bromo-4-[(4-chloro-3-fluorophenoxy)methyl]-1-methoxybenzene
CID 82716215
3-[(4-chloro-3-fluorophenoxy)methyl]-5-fluorobenzenecarbothioamide
CID 82716641

Frequently Asked Questions

What is the IUPAC name of magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide?
The IUPAC name of magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide (CID 91656484) is magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide.
What is the SMILES notation for magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide?
The canonical SMILES for magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide is Fc1cc(OCc2cc[c-]cc2)ccc1Cl.[Br-].[Mg+2].
What is the InChIKey of magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide?
The InChIKey is CNHZLTVWOLWYEJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H9ClFO.BrH.Mg/c14-12-7-6-11(8-13(12)15)16-9-10-4-2-1-3-5-10;;/h2-8H,9H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide?
magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide has a molecular weight of 339.87 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;1-chloro-2-fluoro-4-(phenylmethoxy)benzene;bromide is sourced from PubChem (CID 91656484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).