magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride

C9H13BrMgO3 — CID 173037834

IUPACmagnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
SMILESCOc1cc(Br)cc(OC)c1OC.[H-].[H-].[Mg+2]
InChIInChI=1S/C9H11BrO3.Mg.2H/c1-11-7-4-6(10)5-8(12-2)9(7)13-3;;;/h4-5H,1-3H3;;;/q;+2;2*-1
InChIKeySLESYLOSFHNGMP-UHFFFAOYSA-N
MW273.41 g/mol
LogP2.32
Rot. Bonds3

About magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride

magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride (PubChem CID 173037834) has the molecular formula C9H13BrMgO3 and a molecular weight of 273.41 g/mol. Its IUPAC name is magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride.

Molecular Properties

Compound Namemagnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
PubChem CID173037834
Molecular FormulaC9H13BrMgO3
Molecular Weight273.41 g/mol
Exact Mass271.99
IUPAC Namemagnesium;5-bromo-1,2,3-trimethoxybenzene;hydride
SMILESCOc1cc(Br)cc(OC)c1OC.[H-].[H-].[Mg+2]
InChIInChI=1S/C9H11BrO3.Mg.2H/c1-11-7-4-6(10)5-8(12-2)9(7)13-3;;;/h4-5H,1-3H3;;;/q;+2;2*-1
InChIKeySLESYLOSFHNGMP-UHFFFAOYSA-N
XLogP2.32
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,5-dibromo-2-(3,5-dibromo-2-methoxyphenoxy)-3-methoxybenzene
CID 11978812
(2R)-1-(5-bromo-2,3-dimethoxyphenyl)propan-2-amine
CID 69396117
5-bromo-1,3-dimethoxy-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene
CID 67359347
2-(5-bromo-2,3-dimethoxyphenyl)acetonitrile
CID 10400157
5-bromo-2-chloro-1,3-dimethoxybenzene
CID 22557902
2,5,8,11,20-pentamethoxyhexacyclo[11.5.2.04,17.07,16.010,15.014,18]icosa-1(19),2,4(17),5,7,9,11,13(20),14(18),15-decaene
CID 102452050
(4-bromo-2,6-dimethoxyphenoxy)-tert-butyl-dimethylsilane
CID 11089314
2-(4-bromo-2,6-dimethoxyphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-one
CID 68630537
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807
2-(5-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439719
CID 89073638
CID 89073638
5-bromo-1-chloro-3-methoxy-2-propan-2-yloxybenzene
CID 75486221

Frequently Asked Questions

What is the IUPAC name of magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride?
The IUPAC name of magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride (CID 173037834) is magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride.
What is the SMILES notation for magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride?
The canonical SMILES for magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride is COc1cc(Br)cc(OC)c1OC.[H-].[H-].[Mg+2].
What is the InChIKey of magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride?
The InChIKey is SLESYLOSFHNGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO3.Mg.2H/c1-11-7-4-6(10)5-8(12-2)9(7)13-3;;;/h4-5H,1-3H3;;;/q;+2;2*-1.
What are the key properties of magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride?
magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride has a molecular weight of 273.41 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;5-bromo-1,2,3-trimethoxybenzene;hydride is sourced from PubChem (CID 173037834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).