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924642-61-5 molecular structure
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4-(4-bromo-2-fluorobenzoyl)morpholine

ChemBase ID: 291604
Molecular Formular: C11H11BrFNO2
Molecular Mass: 288.1129432
Monoisotopic Mass: 286.99571882
SMILES and InChIs

SMILES:
O=C(c1ccc(Br)cc1F)N1CCOCC1
Canonical SMILES:
Brc1ccc(c(c1)F)C(=O)N1CCOCC1
InChI:
InChI=1S/C11H11BrFNO2/c12-8-1-2-9(10(13)7-8)11(15)14-3-5-16-6-4-14/h1-2,7H,3-6H2
InChIKey:
NDBNMLDNDQYRTJ-UHFFFAOYSA-N

Cite this record

CBID:291604 http://www.chembase.cn/molecule-291604.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-bromo-2-fluorobenzoyl)morpholine
IUPAC Traditional name
4-(4-bromo-2-fluorobenzoyl)morpholine
Synonyms
(4-Bromo-2-fluorophenyl)(morpholino)methanone
CAS Number
924642-61-5
MDL Number
MFCD09945068
PubChem SID
180677135
PubChem CID
24705647

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD231562 Please log in.
Data Source Data ID
PubChem 24705647 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.9641924  LogD (pH = 7.4) 1.9641924 
Log P 1.9641924  Molar Refractivity 61.8435 cm3
Polarizability 23.19165 Å3 Polar Surface Area 29.54 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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