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Molecule
ID:68468
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₈H₅BrO
Molecular Mass
197.0287
Exact Mass
195.95237678
Charge
0
InChI
InChI=1S/C8H5BrO/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5H
InChIKey
AYOVPQORFBWFNO-UHFFFAOYSA-N
Canonic Smiles
Brc1ccc2c(c1)cco2
Isomeric Smiles
o1ccc2c1ccc(c2)Br
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
2.9011219
LogD (pH = 7.4)
2.9011219
Log P
2.9011219
Molar Refractivity
42.5219
Polarizability
17.424408
Polar Surface Area
13.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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RDKit
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JChem
Data Source
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Academic Data
Names and Identifiers
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IUPAC Traditional name
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IUPAC name
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Synonyms
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PubChem SID
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PubChem CID
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CAS Number
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MDL Number
Properties
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Safety Information
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Product Information
Related Proteins
Molecular Spectra
Molecule Details
References
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PubChem Literature
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Apollo Scientific
OR10831
Maybridge
CC07110
Matrix Scientific
073926
Bide Pharmatech
BD5692
A&J Pharmtech
AJA-O17040
Academic Data
PubChem
90015
Names and Identifiers
IUPAC Traditional name
5-bromo-1-benzofuran
IUPAC name
5-bromo-1-benzofuran
Synonyms
5-Bromobenzofuran
5-Bromobenzo[b]furan
5-bromo-1-benzofuran
5-Bromo-benzofuran
Registration numbers
PubChem SID
162034199
PubChem CID
90015
CAS Number
23145-07-5
MDL Number
MFCD03407317
Properties
Safety Information
TSCA Listed
false
Source
MSDS Link
Download link
Source
Storage Warning
IRRITANT
Source
Irritant/Light Sensitive
Source
Product Information
Purity
95+%
Source
97%
Source
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay