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433939-28-7 molecular structure
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1-bromo-3-(difluoromethoxy)-5-fluorobenzene

ChemBase ID: 291310
Molecular Formular: C7H4BrF3O
Molecular Mass: 241.0052696
Monoisotopic Mass: 239.93976141
SMILES and InChIs

SMILES:
Fc1cc(OC(F)F)cc(Br)c1
Canonical SMILES:
FC(Oc1cc(F)cc(c1)Br)F
InChI:
InChI=1S/C7H4BrF3O/c8-4-1-5(9)3-6(2-4)12-7(10)11/h1-3,7H
InChIKey:
TVMFSEYOFZQZAB-UHFFFAOYSA-N

Cite this record

CBID:291310 http://www.chembase.cn/molecule-291310.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-bromo-3-(difluoromethoxy)-5-fluorobenzene
IUPAC Traditional name
1-bromo-3-(difluoromethoxy)-5-fluorobenzene
Synonyms
1-Bromo-3-(difluoromethoxy)-5-fluorobenzene
CAS Number
433939-28-7
MDL Number
MFCD18390899
PubChem SID
180676841
PubChem CID
21904622

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231020 Please log in.
Data Source Data ID
PubChem 21904622 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6537874  LogD (pH = 7.4) 3.6537874 
Log P 3.6537874  Molar Refractivity 40.3693 cm3
Polarizability 15.439507 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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