Home > Compound List > Compound details
885271-15-8 molecular structure
click picture or here to close

6-bromo-8-methoxy-2H-chromene-3-carbaldehyde

ChemBase ID: 279732
Molecular Formular: C11H9BrO3
Molecular Mass: 269.09136
Monoisotopic Mass: 267.97350615
SMILES and InChIs

SMILES:
c12c(OCC(=C1)C=O)c(cc(c2)Br)OC
Canonical SMILES:
O=CC1=Cc2c(OC1)c(OC)cc(c2)Br
InChI:
InChI=1S/C11H9BrO3/c1-14-10-4-9(12)3-8-2-7(5-13)6-15-11(8)10/h2-5H,6H2,1H3
InChIKey:
PONWUBMQESLCLP-UHFFFAOYSA-N

Cite this record

CBID:279732 http://www.chembase.cn/molecule-279732.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-bromo-8-methoxy-2H-chromene-3-carbaldehyde
IUPAC Traditional name
6-bromo-8-methoxy-2H-chromene-3-carbaldehyde
Synonyms
6-bromo-8-methoxy-2H-chromene-3-carbaldehyde
CAS Number
885271-15-8
MDL Number
MFCD04114595
PubChem SID
164335642
PubChem CID
16228270

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16228270 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.0642364  LogD (pH = 7.4) 2.0642364 
Log P 2.0642364  Molar Refractivity 60.5542 cm3
Polarizability 22.931787 Å3 Polar Surface Area 35.53 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.807 expand Show data source
Purity
95% expand Show data source
96% expand Show data source
98% 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