(2-carbonochloridoyl-4-methylphenyl) selenohypochlorite

C8H6Cl2OSe — CID 22643535

IUPAC(2-carbonochloridoyl-4-methylphenyl) selenohypochlorite
SMILESCc1ccc([Se]Cl)c(C(=O)Cl)c1
InChIInChI=1S/C8H6Cl2OSe/c1-5-2-3-7(12-10)6(4-5)8(9)11/h2-4H,1H3
InChIKeyFUJNTOVCLKNKGT-UHFFFAOYSA-N
MW268.00 g/mol
LogP1.86
Rot. Bonds2

About (2-carbonochloridoyl-4-methylphenyl) selenohypochlorite

(2-carbonochloridoyl-4-methylphenyl) selenohypochlorite (PubChem CID 22643535) has the molecular formula C8H6Cl2OSe and a molecular weight of 268.00 g/mol. Its IUPAC name is (2-carbonochloridoyl-4-methylphenyl) selenohypochlorite.

Molecular Properties

Compound Name(2-carbonochloridoyl-4-methylphenyl) selenohypochlorite
PubChem CID22643535
Molecular FormulaC8H6Cl2OSe
Molecular Weight268.00 g/mol
Exact Mass267.90
IUPAC Name(2-carbonochloridoyl-4-methylphenyl) selenohypochlorite
SMILESCc1ccc([Se]Cl)c(C(=O)Cl)c1
InChIInChI=1S/C8H6Cl2OSe/c1-5-2-3-7(12-10)6(4-5)8(9)11/h2-4H,1H3
InChIKeyFUJNTOVCLKNKGT-UHFFFAOYSA-N
XLogP1.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.00
LogP ≤ 51.86
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'}

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Related Compounds

ethane;2-fluoro-5-methylbenzoyl chloride
CID 143991429
2-(cyanomethyl)-5-methylbenzoyl chloride
CID 45081723
4-methyl-2-(trifluoromethyl)benzoyl chloride
CID 2775606
3-hydroxy-7-methylnaphthalene-2-carbonyl chloride
CID 91900165
dipotassium;4-methylphthalate
CID 140576906
4-methylbenzoyl chloride
CID 13405
2-chloro-1-(2,5-dimethylphenyl)ethanone
CID 2363693
potassium 2-hydroxy-5-methylbenzoate
CID 67847974
3-acetyl-2-hydroxy-5-methylbenzoyl chloride
CID 119092353
(E)-2,3-dichloro-4-(2,5-dimethylphenyl)-4-oxobut-2-enoic acid
CID 2780047
3-acetyl-2-methoxy-5-methylcyclohepta-2,4,6-trien-1-one
CID 14948663
6-methyl-4-oxochromene-3-carbonyl chloride
CID 139222977

Frequently Asked Questions

What is the IUPAC name of (2-carbonochloridoyl-4-methylphenyl) selenohypochlorite?
The IUPAC name of (2-carbonochloridoyl-4-methylphenyl) selenohypochlorite (CID 22643535) is (2-carbonochloridoyl-4-methylphenyl) selenohypochlorite.
What is the SMILES notation for (2-carbonochloridoyl-4-methylphenyl) selenohypochlorite?
The canonical SMILES for (2-carbonochloridoyl-4-methylphenyl) selenohypochlorite is Cc1ccc([Se]Cl)c(C(=O)Cl)c1.
What is the InChIKey of (2-carbonochloridoyl-4-methylphenyl) selenohypochlorite?
The InChIKey is FUJNTOVCLKNKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2OSe/c1-5-2-3-7(12-10)6(4-5)8(9)11/h2-4H,1H3.
What are the key properties of (2-carbonochloridoyl-4-methylphenyl) selenohypochlorite?
(2-carbonochloridoyl-4-methylphenyl) selenohypochlorite has a molecular weight of 268.00 g/mol, XLogP of 1.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbonochloridoyl-4-methylphenyl) selenohypochlorite is sourced from PubChem (CID 22643535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).