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14297-34-8 molecular structure
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2-(4-bromophenyl)furan

ChemBase ID: 92520
Molecular Formular: C10H7BrO
Molecular Mass: 223.06598
Monoisotopic Mass: 221.96802684
SMILES and InChIs

SMILES:
o1cccc1c1ccc(cc1)Br
Canonical SMILES:
Brc1ccc(cc1)c1ccco1
InChI:
InChI=1S/C10H7BrO/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
InChIKey:
FBIKSVALROQWIY-UHFFFAOYSA-N

Cite this record

CBID:92520 http://www.chembase.cn/molecule-92520.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(4-bromophenyl)furan
IUPAC Traditional name
2-(4-bromophenyl)furan
Synonyms
2-(4-bromophenyl)furan
2-(4-Bromophenyl)furan 97%
CAS Number
14297-34-8
MDL Number
MFCD07775614
PubChem SID
162079218
PubChem CID
11276114

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11276114 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4494705  LogD (pH = 7.4) 3.4494705 
Log P 3.4494705  Molar Refractivity 51.2079 cm3
Polarizability 20.826225 Å3 Polar Surface Area 13.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
83-84.5°C expand Show data source
Storage Warning
Toxic expand Show data source
Purity
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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