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32428-69-6 molecular structure
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2-bromo-N-(2-methoxyphenyl)acetamide

ChemBase ID: 56112
Molecular Formular: C9H10BrNO2
Molecular Mass: 244.0852
Monoisotopic Mass: 242.98949057
SMILES and InChIs

SMILES:
C(C(=O)Nc1ccccc1OC)Br
Canonical SMILES:
BrCC(=O)Nc1ccccc1OC
InChI:
InChI=1S/C9H10BrNO2/c1-13-8-5-3-2-4-7(8)11-9(12)6-10/h2-5H,6H2,1H3,(H,11,12)
InChIKey:
DMOPLFALZWOOTI-UHFFFAOYSA-N

Cite this record

CBID:56112 http://www.chembase.cn/molecule-56112.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-N-(2-methoxyphenyl)acetamide
IUPAC Traditional name
2-bromo-N-(2-methoxyphenyl)acetamide
Synonyms
2-Bromo-N-(2-methoxyphenyl)acetamide
CAS Number
32428-69-6
MDL Number
MFCD02974384
PubChem SID
162060875
PubChem CID
3415832

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3415832 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.135928  H Acceptors
H Donor LogD (pH = 5.5) 1.7761239 
LogD (pH = 7.4) 1.7761164  Log P 1.776124 
Molar Refractivity 55.1209 cm3 Polarizability 20.516026 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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