benzoyl chloride;dimethyltin

C9H11ClOSn — CID 174591343

IUPACbenzoyl chloride;dimethyltin
SMILESC[Sn]C.O=C(Cl)c1ccccc1
InChIInChI=1S/C7H5ClO.2CH3.Sn/c8-7(9)6-4-2-1-3-5-6;;;/h1-5H;2*1H3;
InChIKeyYMMYYNIYRMWLJY-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.85
Rot. Bonds1

About benzoyl chloride;dimethyltin

benzoyl chloride;dimethyltin (PubChem CID 174591343) has the molecular formula C9H11ClOSn and a molecular weight of 289.35 g/mol. Its IUPAC name is benzoyl chloride;dimethyltin.

Molecular Properties

Compound Namebenzoyl chloride;dimethyltin
PubChem CID174591343
Molecular FormulaC9H11ClOSn
Molecular Weight289.35 g/mol
Exact Mass289.95
IUPAC Namebenzoyl chloride;dimethyltin
SMILESC[Sn]C.O=C(Cl)c1ccccc1
InChIInChI=1S/C7H5ClO.2CH3.Sn/c8-7(9)6-4-2-1-3-5-6;;;/h1-5H;2*1H3;
InChIKeyYMMYYNIYRMWLJY-UHFFFAOYSA-N
XLogP2.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze benzoyl chloride;dimethyltin with MolForge

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

Launch Full Analysis

Related Compounds

benzoyl chloride;selane
CID 174449470
benzoyl chloride;hydrazine
CID 19933227
benzoyl chloride;chromium;formaldehyde
CID 173282114
benzoic acid;benzoyl chloride
CID 87427055
benzoyl benzoate;benzoyl chloride
CID 157050310
CID 19021053
CID 19021053
benzamide;dimethyltin
CID 174591280
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
methyl benzoate;hydrate
CID 141218240
CID 157228504
CID 157228504
4-[(Z)-2-phenylethenyl]benzoyl chloride
CID 12836536
4-(2-phenylphenyl)benzoyl chloride
CID 141290738

Frequently Asked Questions

What is the IUPAC name of benzoyl chloride;dimethyltin?
The IUPAC name of benzoyl chloride;dimethyltin (CID 174591343) is benzoyl chloride;dimethyltin.
What is the SMILES notation for benzoyl chloride;dimethyltin?
The canonical SMILES for benzoyl chloride;dimethyltin is C[Sn]C.O=C(Cl)c1ccccc1.
What is the InChIKey of benzoyl chloride;dimethyltin?
The InChIKey is YMMYYNIYRMWLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO.2CH3.Sn/c8-7(9)6-4-2-1-3-5-6;;;/h1-5H;2*1H3;.
What are the key properties of benzoyl chloride;dimethyltin?
benzoyl chloride;dimethyltin has a molecular weight of 289.35 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl chloride;dimethyltin is sourced from PubChem (CID 174591343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).