(2-bromophenyl)methyl-chloro-dimethylstannane

C9H12BrClSn — CID 71392872

IUPAC(2-bromophenyl)methyl-chloro-dimethylstannane
SMILESC[Sn](C)(Cl)Cc1ccccc1Br
InChIInChI=1S/C7H6Br.2CH3.ClH.Sn/c1-6-4-2-3-5-7(6)8;;;;/h2-5H,1H2;2*1H3;1H;/q;;;;+1/p-1
InChIKeyFYUQVMXYOJFJQM-UHFFFAOYSA-M
MW354.26 g/mol
LogP3.97
Rot. Bonds2

About (2-bromophenyl)methyl-chloro-dimethylstannane

(2-bromophenyl)methyl-chloro-dimethylstannane (PubChem CID 71392872) has the molecular formula C9H12BrClSn and a molecular weight of 354.26 g/mol. Its IUPAC name is (2-bromophenyl)methyl-chloro-dimethylstannane.

Molecular Properties

Compound Name(2-bromophenyl)methyl-chloro-dimethylstannane
PubChem CID71392872
Molecular FormulaC9H12BrClSn
Molecular Weight354.26 g/mol
Exact Mass353.88
IUPAC Name(2-bromophenyl)methyl-chloro-dimethylstannane
SMILESC[Sn](C)(Cl)Cc1ccccc1Br
InChIInChI=1S/C7H6Br.2CH3.ClH.Sn/c1-6-4-2-3-5-7(6)8;;;;/h2-5H,1H2;2*1H3;1H;/q;;;;+1/p-1
InChIKeyFYUQVMXYOJFJQM-UHFFFAOYSA-M
XLogP3.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.26
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (2-bromophenyl)methyl-chloro-dimethylstannane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2-bromophenyl)methyl-chloro-dimethylstannane?
The IUPAC name of (2-bromophenyl)methyl-chloro-dimethylstannane (CID 71392872) is (2-bromophenyl)methyl-chloro-dimethylstannane.
What is the SMILES notation for (2-bromophenyl)methyl-chloro-dimethylstannane?
The canonical SMILES for (2-bromophenyl)methyl-chloro-dimethylstannane is C[Sn](C)(Cl)Cc1ccccc1Br.
What is the InChIKey of (2-bromophenyl)methyl-chloro-dimethylstannane?
The InChIKey is FYUQVMXYOJFJQM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6Br.2CH3.ClH.Sn/c1-6-4-2-3-5-7(6)8;;;;/h2-5H,1H2;2*1H3;1H;/q;;;;+1/p-1.
What are the key properties of (2-bromophenyl)methyl-chloro-dimethylstannane?
(2-bromophenyl)methyl-chloro-dimethylstannane has a molecular weight of 354.26 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromophenyl)methyl-chloro-dimethylstannane is sourced from PubChem (CID 71392872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).