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60312-83-6 molecular structure
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2-(3-bromophenyl)acetamide

ChemBase ID: 807663
Molecular Formular: C8H8BrNO
Molecular Mass: 214.05922
Monoisotopic Mass: 212.97892588
SMILES and InChIs

SMILES:
C(C(=O)N)c1cc(ccc1)Br
Canonical SMILES:
NC(=O)Cc1cccc(c1)Br
InChI:
InChI=1S/C8H8BrNO/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H2,10,11)
InChIKey:
JEYSSRJRKIAJIO-UHFFFAOYSA-N

Cite this record

CBID:807663 http://www.chembase.cn/molecule-807663.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-bromophenyl)acetamide
IUPAC Traditional name
2-(3-bromophenyl)acetamide
Synonyms
2-(3-BROMOPHENYL)ACETAMIDE
CAS Number
60312-83-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O25812 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O25812 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.013492  H Acceptors
H Donor LogD (pH = 5.5) 1.5728041 
LogD (pH = 7.4) 1.5728041  Log P 1.5728041 
Molar Refractivity 46.8106 cm3 Polarizability 18.046494 Å3
Polar Surface Area 43.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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