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162104112 molecular structure
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N-[4-(2-bromoacetyl)phenyl]benzamide

ChemBase ID: 72315
Molecular Formular: C15H12BrNO2
Molecular Mass: 318.16528
Monoisotopic Mass: 317.00514063
SMILES and InChIs

SMILES:
c1c(ccc(c1)C(=O)CBr)NC(=O)c1ccccc1
Canonical SMILES:
BrCC(=O)c1ccc(cc1)NC(=O)c1ccccc1
InChI:
InChI=1S/C15H12BrNO2/c16-10-14(18)11-6-8-13(9-7-11)17-15(19)12-4-2-1-3-5-12/h1-9H,10H2,(H,17,19)
InChIKey:
UZDBRMWBLAQQIX-UHFFFAOYSA-N

Cite this record

CBID:72315 http://www.chembase.cn/molecule-72315.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[4-(2-bromoacetyl)phenyl]benzamide
IUPAC Traditional name
N-[4-(2-bromoacetyl)phenyl]benzamide
Synonyms
N-[4-(2-Bromoacetyl)phenyl]benzamide
PubChem SID
162104112
PubChem CID
12537708

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
077939 external link Add to cart Please log in.
Data Source Data ID
PubChem 12537708 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.409605  H Acceptors
H Donor LogD (pH = 5.5) 3.3456168 
LogD (pH = 7.4) 3.3455768  Log P 3.3456173 
Molar Refractivity 79.731 cm3 Polarizability 29.328724 Å3
Polar Surface Area 46.17 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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