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34367-36-7 molecular structure
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(4-bromophenyl)[4-(trifluoromethoxy)phenyl]methanone

ChemBase ID: 94855
Molecular Formular: C14H8BrF3O2
Molecular Mass: 345.1113296
Monoisotopic Mass: 343.96597616
SMILES and InChIs

SMILES:
O=C(c1ccc(cc1)Br)c1ccc(cc1)OC(F)(F)F
Canonical SMILES:
O=C(c1ccc(cc1)Br)c1ccc(cc1)OC(F)(F)F
InChI:
InChI=1S/C14H8BrF3O2/c15-11-5-1-9(2-6-11)13(19)10-3-7-12(8-4-10)20-14(16,17)18/h1-8H
InChIKey:
BXPDDFIILBUHCI-UHFFFAOYSA-N

Cite this record

CBID:94855 http://www.chembase.cn/molecule-94855.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(4-bromophenyl)[4-(trifluoromethoxy)phenyl]methanone
IUPAC Traditional name
(4-bromophenyl)[4-(trifluoromethoxy)phenyl]methanone
Synonyms
4-Bromo-4'-(trifluoromethoxy)benzophenone 98%
CAS Number
34367-36-7
MDL Number
MFCD00156815
PubChem SID
162081509
PubChem CID
605105

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 605105 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.632463  LogD (pH = 7.4) 5.632463 
Log P 5.632463  Molar Refractivity 67.3266 cm3
Polarizability 26.76394 Å3 Polar Surface Area 26.3 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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