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909248-46-0 molecular structure
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3-(4-bromophenyl)cyclopentan-1-one

ChemBase ID: 810741
Molecular Formular: C11H11BrO
Molecular Mass: 239.10844
Monoisotopic Mass: 237.99932697
SMILES and InChIs

SMILES:
C1(=O)CC(CC1)c1ccc(cc1)Br
Canonical SMILES:
O=C1CCC(C1)c1ccc(cc1)Br
InChI:
InChI=1S/C11H11BrO/c12-10-4-1-8(2-5-10)9-3-6-11(13)7-9/h1-2,4-5,9H,3,6-7H2
InChIKey:
AJKPXKHWCHZLSF-UHFFFAOYSA-N

Cite this record

CBID:810741 http://www.chembase.cn/molecule-810741.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-bromophenyl)cyclopentan-1-one
IUPAC Traditional name
3-(4-bromophenyl)cyclopentan-1-one
Synonyms
3-(4-BROMOPHENYL)CYCLOPENTANONE
CAS Number
909248-46-0

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O29552 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O29552 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 19.964825  H Acceptors
H Donor LogD (pH = 5.5) 3.2332013 
LogD (pH = 7.4) 3.2332013  Log P 3.2332013 
Molar Refractivity 55.9128 cm3 Polarizability 21.628962 Å3
Polar Surface Area 17.07 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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