3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride

C14H8Cl2O2Se2 — CID 88623583

IUPAC3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride
SMILESO=C(Cl)c1cccc([Se][Se]c2cccc(C(=O)Cl)c2)c1
InChIInChI=1S/C14H8Cl2O2Se2/c15-13(17)9-3-1-5-11(7-9)19-20-12-6-2-4-10(8-12)14(16)18/h1-8H
InChIKeyFNDNETLABONKRA-UHFFFAOYSA-N
MW437.04 g/mol
LogP1.72
Rot. Bonds5

About 3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride

3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride (PubChem CID 88623583) has the molecular formula C14H8Cl2O2Se2 and a molecular weight of 437.04 g/mol. Its IUPAC name is 3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride.

Molecular Properties

Compound Name3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride
PubChem CID88623583
Molecular FormulaC14H8Cl2O2Se2
Molecular Weight437.04 g/mol
Exact Mass437.82
IUPAC Name3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride
SMILESO=C(Cl)c1cccc([Se][Se]c2cccc(C(=O)Cl)c2)c1
InChIInChI=1S/C14H8Cl2O2Se2/c15-13(17)9-3-1-5-11(7-9)19-20-12-6-2-4-10(8-12)14(16)18/h1-8H
InChIKeyFNDNETLABONKRA-UHFFFAOYSA-N
XLogP1.72
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.04
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

(3-carbonochloridoylphenyl)azanium
CID 143753008
3-[3-(3-carbonochloridoylphenyl)phenyl]benzoyl chloride
CID 12023926
(3-carbonochloridoylbenzoyl)chloranium
CID 148573269
3-(4-carbonochloridoylbenzoyl)benzoyl chloride
CID 54548654
4-acetylbenzoyl chloride;benzene-1,3-dicarbonyl chloride
CID 160876717
benzoyl chloride;chromium;formaldehyde
CID 173282114
3-(difluoromethyl)benzoyl chloride
CID 58552883
3-(bromoamino)benzoyl chloride
CID 174883309
3-(fluoromethyl)benzoyl chloride
CID 88536338
4-[3-(4-carbonochloridoylbenzoyl)benzoyl]benzoyl chloride
CID 88641482
benzoyl chloride;selane
CID 174449470
3-[2-(3-carbonochloridoylphenoxy)ethoxy]benzoyl chloride
CID 101056667

Frequently Asked Questions

What is the IUPAC name of 3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride?
The IUPAC name of 3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride (CID 88623583) is 3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride.
What is the SMILES notation for 3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride?
The canonical SMILES for 3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride is O=C(Cl)c1cccc([Se][Se]c2cccc(C(=O)Cl)c2)c1.
What is the InChIKey of 3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride?
The InChIKey is FNDNETLABONKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2O2Se2/c15-13(17)9-3-1-5-11(7-9)19-20-12-6-2-4-10(8-12)14(16)18/h1-8H.
What are the key properties of 3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride?
3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride has a molecular weight of 437.04 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-carbonochloridoylphenyl)diselanyl]benzoyl chloride is sourced from PubChem (CID 88623583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).