Home > Compound List > Compound details
MFCD00671932 molecular structure
click picture or here to close

1-(2-bromoprop-2-en-1-yl)-4-methylbenzene

ChemBase ID: 73823
Molecular Formular: C10H11Br
Molecular Mass: 211.09834
Monoisotopic Mass: 210.00441235
SMILES and InChIs

SMILES:
BrC(=C)Cc1ccc(cc1)C
Canonical SMILES:
BrC(=C)Cc1ccc(cc1)C
InChI:
InChI=1S/C10H11Br/c1-8-3-5-10(6-4-8)7-9(2)11/h3-6H,2,7H2,1H3
InChIKey:
VESFFGOSQKMMCL-UHFFFAOYSA-N

Cite this record

CBID:73823 http://www.chembase.cn/molecule-73823.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(2-bromoprop-2-en-1-yl)-4-methylbenzene
IUPAC Traditional name
1-(2-bromoprop-2-en-1-yl)-4-methylbenzene
Synonyms
2-Bromo-3-(4-methylphenyl)prop-1-ene
4-(2-Bromoallyl)toluene
MDL Number
MFCD00671932
PubChem SID
162038742
PubChem CID
24721739

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
OR01927 external link Add to cart Please log in.
Data Source Data ID
PubChem 24721739 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.8308015  LogD (pH = 7.4) 3.8308015 
Log P 3.8308015  Molar Refractivity 53.0747 cm3
Polarizability 19.979294 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five true 

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