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38527-58-1 molecular structure
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2-(2-bromophenyl)furan

ChemBase ID: 92569
Molecular Formular: C10H7BrO
Molecular Mass: 223.06598
Monoisotopic Mass: 221.96802684
SMILES and InChIs

SMILES:
o1cccc1c1ccccc1Br
Canonical SMILES:
Brc1ccccc1c1ccco1
InChI:
InChI=1S/C10H7BrO/c11-9-5-2-1-4-8(9)10-6-3-7-12-10/h1-7H
InChIKey:
YWWTWWDBLGSPAA-UHFFFAOYSA-N

Cite this record

CBID:92569 http://www.chembase.cn/molecule-92569.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-bromophenyl)furan
IUPAC Traditional name
2-(2-bromophenyl)furan
Synonyms
2-(2-bromophenyl)furan
2-(2-Bromophenyl)furan 97%
CAS Number
38527-58-1
MDL Number
MFCD08435878
PubChem SID
162079267
PubChem CID
11615504

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11615504 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 20.831244 Å3 Polar Surface Area 13.14 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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