Home > Compound List > Compound details
645-96-5 molecular structure
click picture or here to close

selenol

ChemBase ID: 108854
Molecular Formular: C6H5Se
Molecular Mass: 156.0639
Monoisotopic Mass: 156.95564616
SMILES and InChIs

SMILES:
[Se]c1ccccc1
Canonical SMILES:
[Se]c1ccccc1
InChI:
InChI=1S/C6H5Se/c7-6-4-2-1-3-5-6/h1-5H
InChIKey:
YWBHROUQJYHSOR-UHFFFAOYSA-N

Cite this record

CBID:108854 http://www.chembase.cn/molecule-108854.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
selenol
IUPAC Traditional name
phenyl selenium
Synonyms
SELENOPHENOL
CAS Number
645-96-5
EC Number
211-457-2
PubChem SID
162094467
PubChem CID
6327608

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
MP Biomedicals
05208994 external link Add to cart Please log in.
Data Source Data ID
PubChem 6327608 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7495  LogD (pH = 7.4) 1.7495 
Log P 1.7495  Molar Refractivity 38.5892 cm3
Polarizability 10.620823 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
R:23/25-33 expand Show data source
Safety Statements
S:28-45-20/21 expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05208994 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle