magnesium;4-methanidyl-1-benzofuran;chloride

C9H7ClMgO — CID 10797773

IUPACmagnesium;4-methanidyl-1-benzofuran;chloride
SMILES[CH2-]c1cccc2occc12.[Cl-].[Mg+2]
InChIInChI=1S/C9H7O.ClH.Mg/c1-7-3-2-4-9-8(7)5-6-10-9;;/h2-6H,1H2;1H;/q-1;;+2/p-1
InChIKeyCDFCMVIHZPZUCM-UHFFFAOYSA-M
MW190.91 g/mol
LogP-0.76
Rot. Bonds

About magnesium;4-methanidyl-1-benzofuran;chloride

magnesium;4-methanidyl-1-benzofuran;chloride (PubChem CID 10797773) has the molecular formula C9H7ClMgO and a molecular weight of 190.91 g/mol. Its IUPAC name is magnesium;4-methanidyl-1-benzofuran;chloride.

Molecular Properties

Compound Namemagnesium;4-methanidyl-1-benzofuran;chloride
PubChem CID10797773
Molecular FormulaC9H7ClMgO
Molecular Weight190.91 g/mol
Exact Mass190.00
IUPAC Namemagnesium;4-methanidyl-1-benzofuran;chloride
SMILES[CH2-]c1cccc2occc12.[Cl-].[Mg+2]
InChIInChI=1S/C9H7O.ClH.Mg/c1-7-3-2-4-9-8(7)5-6-10-9;;/h2-6H,1H2;1H;/q-1;;+2/p-1
InChIKeyCDFCMVIHZPZUCM-UHFFFAOYSA-M
XLogP-0.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.91
LogP ≤ 5-0.76
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

(2S)-2-amino-2-(1-benzofuran-4-yl)ethanol
CID 96741670
4-bromo-1-benzofuran;ethane
CID 166455445
4-propan-2-yloxy-1-benzofuran
CID 68788950
1-benzofuran-4-carbonyl chloride
CID 23450130
1-benzofuran-4-amine;1-benzofuran-4-ol
CID 158607409
1-(1-benzofuran-4-yl)cyclopropan-1-ol
CID 117277093
9-chlorobenzo[e][1]benzofuran
CID 176753779
4-(3-fluorophenyl)-1-benzofuran
CID 10751013
azane;chromen-4-one
CID 175189895
benzo[e][1]benzofuran;N,N-dimethylmethanamine
CID 174542666
6-oxa-11-azatricyclo[8.4.0.03,7]tetradeca-1(10),3(7),4,8,11,13-hexaen-2-one
CID 59457780
4-hexyl-1-benzofuran
CID 90920870

Frequently Asked Questions

What is the IUPAC name of magnesium;4-methanidyl-1-benzofuran;chloride?
The IUPAC name of magnesium;4-methanidyl-1-benzofuran;chloride (CID 10797773) is magnesium;4-methanidyl-1-benzofuran;chloride.
What is the SMILES notation for magnesium;4-methanidyl-1-benzofuran;chloride?
The canonical SMILES for magnesium;4-methanidyl-1-benzofuran;chloride is [CH2-]c1cccc2occc12.[Cl-].[Mg+2].
What is the InChIKey of magnesium;4-methanidyl-1-benzofuran;chloride?
The InChIKey is CDFCMVIHZPZUCM-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7O.ClH.Mg/c1-7-3-2-4-9-8(7)5-6-10-9;;/h2-6H,1H2;1H;/q-1;;+2/p-1.
What are the key properties of magnesium;4-methanidyl-1-benzofuran;chloride?
magnesium;4-methanidyl-1-benzofuran;chloride has a molecular weight of 190.91 g/mol, XLogP of -0.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for magnesium;4-methanidyl-1-benzofuran;chloride is sourced from PubChem (CID 10797773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).