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257280-25-4 molecular structure
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5-bromo-2-phenoxypyrimidine

ChemBase ID: 66609
Molecular Formular: C10H7BrN2O
Molecular Mass: 251.07938
Monoisotopic Mass: 249.97417485
SMILES and InChIs

SMILES:
c1(ncc(cn1)Br)Oc1ccccc1
Canonical SMILES:
Brc1cnc(nc1)Oc1ccccc1
InChI:
InChI=1S/C10H7BrN2O/c11-8-6-12-10(13-7-8)14-9-4-2-1-3-5-9/h1-7H
InChIKey:
ZFECRMYYOMVREH-UHFFFAOYSA-N

Cite this record

CBID:66609 http://www.chembase.cn/molecule-66609.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-bromo-2-phenoxypyrimidine
IUPAC Traditional name
5-bromo-2-phenoxypyrimidine
Synonyms
5-Bromo-2-phenoxypyrimidine
CAS Number
257280-25-4
MDL Number
MFCD03646346
PubChem SID
162032346
PubChem CID
642842

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.9975612  LogD (pH = 7.4) 2.9975612 
Log P 2.9975612  Molar Refractivity 56.5319 cm3
Polarizability 21.691132 Å3 Polar Surface Area 35.01 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
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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