benzoyl chloride;selane

C7H7ClOSe — CID 174449470

IUPACbenzoyl chloride;selane
SMILESO=C(Cl)c1ccccc1.[SeH2]
InChIInChI=1S/C7H5ClO.H2Se/c8-7(9)6-4-2-1-3-5-6;/h1-5H;1H2
InChIKeyOGKVUKASMLMXPZ-UHFFFAOYSA-N
MW221.55 g/mol
LogP1.15
Rot. Bonds1

About benzoyl chloride;selane

benzoyl chloride;selane (PubChem CID 174449470) has the molecular formula C7H7ClOSe and a molecular weight of 221.55 g/mol. Its IUPAC name is benzoyl chloride;selane.

Molecular Properties

Compound Namebenzoyl chloride;selane
PubChem CID174449470
Molecular FormulaC7H7ClOSe
Molecular Weight221.55 g/mol
Exact Mass221.94
IUPAC Namebenzoyl chloride;selane
SMILESO=C(Cl)c1ccccc1.[SeH2]
InChIInChI=1S/C7H5ClO.H2Se/c8-7(9)6-4-2-1-3-5-6;/h1-5H;1H2
InChIKeyOGKVUKASMLMXPZ-UHFFFAOYSA-N
XLogP1.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.55
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze benzoyl chloride;selane 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;hydrazine
CID 19933227
benzoyl chloride;chromium;formaldehyde
CID 173282114
benzoic acid;benzoyl chloride
CID 87427055
benzoyl chloride;dimethyltin
CID 174591343
CID 19021053
CID 19021053
benzoyl benzoate;benzoyl chloride
CID 157050310
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
4-(2-phenylethynyl)benzoyl chloride
CID 11413793
4-[(Z)-2-phenylethenyl]benzoyl chloride
CID 12836536
4-(2-phenylphenyl)benzoyl chloride
CID 141290738
1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene
CID 88738435
4-(2-phenylethynyl)benzoyl chloride;hydrochloride
CID 141166911

Frequently Asked Questions

What is the IUPAC name of benzoyl chloride;selane?
The IUPAC name of benzoyl chloride;selane (CID 174449470) is benzoyl chloride;selane.
What is the SMILES notation for benzoyl chloride;selane?
The canonical SMILES for benzoyl chloride;selane is O=C(Cl)c1ccccc1.[SeH2].
What is the InChIKey of benzoyl chloride;selane?
The InChIKey is OGKVUKASMLMXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO.H2Se/c8-7(9)6-4-2-1-3-5-6;/h1-5H;1H2.
What are the key properties of benzoyl chloride;selane?
benzoyl chloride;selane has a molecular weight of 221.55 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzoyl chloride;selane is sourced from PubChem (CID 174449470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).