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43192-31-0 molecular structure
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2-bromo-4-methoxybenzaldehyde

ChemBase ID: 68778
Molecular Formular: C8H7BrO2
Molecular Mass: 215.04398
Monoisotopic Mass: 213.96294146
SMILES and InChIs

SMILES:
C(=O)c1c(cc(cc1)OC)Br
Canonical SMILES:
COc1ccc(c(c1)Br)C=O
InChI:
InChI=1S/C8H7BrO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3
InChIKey:
ODISAUHBLBVQKC-UHFFFAOYSA-N

Cite this record

CBID:68778 http://www.chembase.cn/molecule-68778.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-4-methoxybenzaldehyde
IUPAC Traditional name
2-bromo-4-methoxybenzaldehyde
Synonyms
2-Bromo-4-methoxybenzaldehyde
CAS Number
43192-31-0
MDL Number
MFCD09788636
PubChem SID
162034508
PubChem CID
11127641

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11127641 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.2968295  LogD (pH = 7.4) 2.2968295 
Log P 2.2968295  Molar Refractivity 46.728 cm3
Polarizability 17.617783 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false 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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