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61657-63-4 molecular structure
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2-(benzyloxy)-3,5-dibromobenzaldehyde

ChemBase ID: 233372
Molecular Formular: C14H10Br2O2
Molecular Mass: 370.036
Monoisotopic Mass: 367.90475356
SMILES and InChIs

SMILES:
c1(c(c(cc(c1)Br)Br)OCc1ccccc1)C=O
Canonical SMILES:
O=Cc1cc(Br)cc(c1OCc1ccccc1)Br
InChI:
InChI=1S/C14H10Br2O2/c15-12-6-11(8-17)14(13(16)7-12)18-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKey:
AACUFLFOQQDBBB-UHFFFAOYSA-N

Cite this record

CBID:233372 http://www.chembase.cn/molecule-233372.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(benzyloxy)-3,5-dibromobenzaldehyde
IUPAC Traditional name
2-(benzyloxy)-3,5-dibromobenzaldehyde
Synonyms
2-(benzyloxy)-3,5-dibromobenzaldehyde
CAS Number
61657-63-4
MDL Number
MFCD02257462
PubChem SID
164289282
PubChem CID
1494337

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Enamine
EN300-08128 external link Add to cart Please log in.
Data Source Data ID
PubChem 1494337 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 4.7900553  LogD (pH = 7.4) 4.7900553 
Log P 4.7900553  Molar Refractivity 78.9634 cm3
Polarizability 30.012957 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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