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28165-49-3 molecular structure
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2-bromo-6-methoxyphenol

ChemBase ID: 17966
Molecular Formular: C7H7BrO2
Molecular Mass: 203.03328
Monoisotopic Mass: 201.96294146
SMILES and InChIs

SMILES:
c1ccc(c(c1OC)O)Br
Canonical SMILES:
COc1cccc(c1O)Br
InChI:
InChI=1S/C7H7BrO2/c1-10-6-4-2-3-5(8)7(6)9/h2-4,9H,1H3
InChIKey:
WEUFQISIJPSTBM-UHFFFAOYSA-N

Cite this record

CBID:17966 http://www.chembase.cn/molecule-17966.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-6-methoxyphenol
IUPAC Traditional name
2-bromo-6-methoxyphenol
Synonyms
2-Bromo-6-methoxyphenol
2-Bromo-6-methoxyphenol
2-溴-6-甲氧基苯酚
CAS Number
28165-49-3
MDL Number
MFCD08146628
PubChem SID
160981273
PubChem CID
11019958

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.660778  H Acceptors
H Donor LogD (pH = 5.5) 2.2804642 
LogD (pH = 7.4) 2.2577457  Log P 2.280762 
Molar Refractivity 42.1249 cm3 Polarizability 16.354013 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
62-65°C expand Show data source
Hydrophobicity(logP)
2.129 expand Show data source
Storage Warning
IRRITANT expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
false expand Show data source
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Purity
95% expand Show data source
97% expand Show data source
98% expand Show data source
98+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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