Home > Compound List > Compound details
26646-29-7 molecular structure
click picture or here to close

2-(2-bromoethoxy)-1-chloro-3-methylbenzene

ChemBase ID: 311182
Molecular Formular: C9H10BrClO
Molecular Mass: 249.5321
Monoisotopic Mass: 247.96035462
SMILES and InChIs

SMILES:
c1(c(Cl)cccc1C)OCCBr
Canonical SMILES:
BrCCOc1c(C)cccc1Cl
InChI:
InChI=1S/C9H10BrClO/c1-7-3-2-4-8(11)9(7)12-6-5-10/h2-4H,5-6H2,1H3
InChIKey:
ZYACOGVFZFWGMV-UHFFFAOYSA-N

Cite this record

CBID:311182 http://www.chembase.cn/molecule-311182.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-bromoethoxy)-1-chloro-3-methylbenzene
IUPAC Traditional name
2-(2-bromoethoxy)-1-chloro-3-methylbenzene
Synonyms
2-(2-bromoethoxy)-1-chloro-3-methylbenzene
CAS Number
26646-29-7
MDL Number
MFCD02030848

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 5738337 external link Add to cart
Data Source Data ID Price
ChemBridge
5738337 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.7830257  LogD (pH = 7.4) 3.7830257 
Log P 3.7830257  Molar Refractivity 54.694 cm3
Polarizability 21.099066 Å3 Polar Surface Area 9.23 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

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