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351534-35-5 molecular structure
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4-(3-bromophenyl)piperidine-2,6-dione

ChemBase ID: 810266
Molecular Formular: C11H10BrNO2
Molecular Mass: 268.1066
Monoisotopic Mass: 266.98949057
SMILES and InChIs

SMILES:
C1(CC(=O)NC(=O)C1)c1cc(ccc1)Br
Canonical SMILES:
O=C1NC(=O)CC(C1)c1cccc(c1)Br
InChI:
InChI=1S/C11H10BrNO2/c12-9-3-1-2-7(4-9)8-5-10(14)13-11(15)6-8/h1-4,8H,5-6H2,(H,13,14,15)
InChIKey:
XKLMZPIKSUMFTO-UHFFFAOYSA-N

Cite this record

CBID:810266 http://www.chembase.cn/molecule-810266.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(3-bromophenyl)piperidine-2,6-dione
IUPAC Traditional name
4-(3-bromophenyl)piperidine-2,6-dione
Synonyms
4-(3-BROMO-PHENYL)-PIPERIDINE-2,6-DIONE
CAS Number
351534-35-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O28610 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O28610 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 11.543858  H Acceptors
H Donor LogD (pH = 5.5) 1.6406724 
LogD (pH = 7.4) 1.6406419  Log P 1.6406728 
Molar Refractivity 59.1488 cm3 Polarizability 22.951962 Å3
Polar Surface Area 46.17 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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