Home > Compound List > Compound details
1013031-65-6 molecular structure
click picture or here to close

(2,6-dibromophenyl)methanol

ChemBase ID: 292928
Molecular Formular: C7H6Br2O
Molecular Mass: 265.92994
Monoisotopic Mass: 263.87853881
SMILES and InChIs

SMILES:
OCc1c(Br)cccc1Br
Canonical SMILES:
OCc1c(Br)cccc1Br
InChI:
InChI=1S/C7H6Br2O/c8-6-2-1-3-7(9)5(6)4-10/h1-3,10H,4H2
InChIKey:
MUMDGZCWRBIKDZ-UHFFFAOYSA-N

Cite this record

CBID:292928 http://www.chembase.cn/molecule-292928.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2,6-dibromophenyl)methanol
IUPAC Traditional name
(2,6-dibromophenyl)methanol
Synonyms
(2,6-Dibromophenyl)methanol
CAS Number
1013031-65-6
PubChem SID
180678459
PubChem CID
53397357

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD241807 Please log in.
Data Source Data ID
PubChem 53397357 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.576058  H Acceptors
H Donor LogD (pH = 5.5) 2.7434013 
LogD (pH = 7.4) 2.7434013  Log P 2.7434013 
Molar Refractivity 48.1195 cm3 Polarizability 18.682468 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

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