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1161497-23-9 molecular structure
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2-bromo-1-fluoro-4-methoxybenzene

ChemBase ID: 70422
Molecular Formular: C7H6BrFO
Molecular Mass: 205.0243432
Monoisotopic Mass: 203.95860503
SMILES and InChIs

SMILES:
c1(c(cc(cc1)OC)Br)F
Canonical SMILES:
COc1ccc(c(c1)Br)F
InChI:
InChI=1S/C7H6BrFO/c1-10-5-2-3-7(9)6(8)4-5/h2-4H,1H3
InChIKey:
LYIGJBQYDRJPIR-UHFFFAOYSA-N

Cite this record

CBID:70422 http://www.chembase.cn/molecule-70422.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-bromo-1-fluoro-4-methoxybenzene
IUPAC Traditional name
2-bromo-1-fluoro-4-methoxybenzene
Synonyms
2-Bromo-1-fluoro-4-methoxybenzene
3-BroMo-4-fluoroanisole
CAS Number
1161497-23-9
MDL Number
MFCD13185359
PubChem SID
162036141
PubChem CID
17750869

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.727029  LogD (pH = 7.4) 2.727029 
Log P 2.727029  Molar Refractivity 40.3604 cm3
Polarizability 15.513929 Å3 Polar Surface Area 9.23 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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