Home > Compound List > Compound details
202865-79-0 molecular structure
click picture or here to close

2-bromo-4-fluoro-1-(propan-2-yloxy)benzene

ChemBase ID: 99619
Molecular Formular: C9H10BrFO
Molecular Mass: 233.0775032
Monoisotopic Mass: 231.98990516
SMILES and InChIs

SMILES:
Fc1cc(c(cc1)OC(C)C)Br
Canonical SMILES:
CC(Oc1ccc(cc1Br)F)C
InChI:
InChI=1S/C9H10BrFO/c1-6(2)12-9-4-3-7(11)5-8(9)10/h3-6H,1-2H3
InChIKey:
HFSLIMXPHXLCKX-UHFFFAOYSA-N

Cite this record

CBID:99619 http://www.chembase.cn/molecule-99619.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-4-fluoro-1-(propan-2-yloxy)benzene
IUPAC Traditional name
2-bromo-4-fluoro-1-isopropoxybenzene
Synonyms
2-Bromo-4-fluoro-1-isopropoxybenzene
2-(2-Bromo-4-fluorophenoxy)propane 98%
CAS Number
202865-79-0
MDL Number
MFCD00070761
PubChem SID
162085882
PubChem CID
2773388

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC7408 external link Add to cart Please log in.
Data Source Data ID
PubChem 2773388 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.500412  LogD (pH = 7.4) 3.500412 
Log P 3.500412  Molar Refractivity 49.5278 cm3
Polarizability 19.10445 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant 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