Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate

C14H8Br2O2Se2 — CID 14715010

IUPACSe-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate
SMILESO=C([Se][Se]C(=O)c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C14H8Br2O2Se2/c15-11-7-3-1-5-9(11)13(17)19-20-14(18)10-6-2-4-8-12(10)16/h1-8H
InChIKeyWWOUKPJPQAFMNF-UHFFFAOYSA-N
MW525.94 g/mol
LogP3.52
Rot. Bonds5

About Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate

Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate (PubChem CID 14715010) has the molecular formula C14H8Br2O2Se2 and a molecular weight of 525.94 g/mol. Its IUPAC name is Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate.

Molecular Properties

Compound NameSe-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate
PubChem CID14715010
Molecular FormulaC14H8Br2O2Se2
Molecular Weight525.94 g/mol
Exact Mass525.72
IUPAC NameSe-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate
SMILESO=C([Se][Se]C(=O)c1ccccc1Br)c1ccccc1Br
InChIInChI=1S/C14H8Br2O2Se2/c15-11-7-3-1-5-9(11)13(17)19-20-14(18)10-6-2-4-8-12(10)16/h1-8H
InChIKeyWWOUKPJPQAFMNF-UHFFFAOYSA-N
XLogP3.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.94
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

S-(2-bromobenzoyl)sulfanyl 2-bromobenzenecarbothioate
CID 10071435
2-bromobenzamide;hydrochloride
CID 68911907
2-bromo-1-(2-bromophenyl)ethanone
CID 2737522
2-(2-bromophenyl)-2-oxoacetic acid
CID 4241115
1-(2-bromophenyl)-2,2-dihydroxyethanone
CID 14046171
2-(2-bromophenyl)-2-oxoacetate
CID 6999378
bis[4-(2-bromobenzoyl)phenyl]methanone
CID 22494547
2-bromo-1-(2-bromophenyl)-2,2-dichloroethanone
CID 155907008
2-bromobenzoyl cyanide
CID 12969202
1-(2-bromophenyl)-2,2,2-trichloroethanone
CID 102572456
1-(2-bromophenyl)-2,2-difluoro-2-iodoethanone
CID 162354712
1-bromo-2-(1,1-dibromoprop-1-en-2-yl)benzene
CID 87377327

Frequently Asked Questions

What is the IUPAC name of Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate?
The IUPAC name of Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate (CID 14715010) is Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate.
What is the SMILES notation for Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate?
The canonical SMILES for Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate is O=C([Se][Se]C(=O)c1ccccc1Br)c1ccccc1Br.
What is the InChIKey of Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate?
The InChIKey is WWOUKPJPQAFMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2O2Se2/c15-11-7-3-1-5-9(11)13(17)19-20-14(18)10-6-2-4-8-12(10)16/h1-8H.
What are the key properties of Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate?
Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate has a molecular weight of 525.94 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Se-(2-bromobenzoyl)selanyl 2-bromobenzenecarboselenoate is sourced from PubChem (CID 14715010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).