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2204-97-9 molecular structure
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bis[1-(4-bromophenyl)cyclopentyl]methanone

ChemBase ID: 796208
Molecular Formular: C23H24Br2O
Molecular Mass: 476.24406
Monoisotopic Mass: 474.01938939
SMILES and InChIs

SMILES:
C(=O)(C1(CCCC1)c1ccc(cc1)Br)C1(CCCC1)c1ccc(cc1)Br
Canonical SMILES:
O=C(C1(CCCC1)c1ccc(cc1)Br)C1(CCCC1)c1ccc(cc1)Br
InChI:
InChI=1S/C23H24Br2O/c24-19-9-5-17(6-10-19)22(13-1-2-14-22)21(26)23(15-3-4-16-23)18-7-11-20(25)12-8-18/h5-12H,1-4,13-16H2
InChIKey:
PPIFBTWYKQJNMH-UHFFFAOYSA-N

Cite this record

CBID:796208 http://www.chembase.cn/molecule-796208.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis[1-(4-bromophenyl)cyclopentyl]methanone
IUPAC Traditional name
bis[1-(4-bromophenyl)cyclopentyl]methanone
Synonyms
(4-bromophenyl)cyclopentyl ketone
CAS Number
2204-97-9

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O1951 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O1951 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 8.361289  LogD (pH = 7.4) 8.361289 
Log P 8.361289  Molar Refractivity 113.8348 cm3
Polarizability 44.231915 Å3 Polar Surface Area 17.07 Å2
Rotatable Bonds Lipinski's Rule of Five false 

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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