Home Bromides 7342-82-7
7342-82-7,MFCD00023009
Catalog No.:AA003IWN
7342-82-7 | 3-bromo-1-benzothiophene
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95+%
in stock  
$11.00   $8.00
- +
5g
95+%
in stock  
$30.00   $21.00
- +
10g
95+%
in stock  
$51.00   $36.00
- +
25g
95+%
in stock  
$101.00   $71.00
- +
  • Technical Information
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  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IWN
Chemical Name:
3-bromo-1-benzothiophene
CAS Number:
7342-82-7
Molecular Formula:
C8H5BrS
Molecular Weight:
213.0943
MDL Number:
MFCD00023009
IUPAC Name:
3-bromo-1-benzothiophene
InChI:
InChI=1S/C8H5BrS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H
InChI Key:
SRWDQSRTOOMPMO-UHFFFAOYSA-N
SMILES:
Brc1csc2c1cccc2
Properties
Computed Properties
 
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.93g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.092g/mol
Monoisotopic Mass:
211.93g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
28.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

Synonyms
 
3-Bromobenzo[b]thiophene 
7342-82-7 
SRWDQSRTOOMPMO-UHFFFAOYSA-N 
MFCD00023009 
AK-27164 
3-bromobenzo(b)thiophene 
zlchem 804 
3-bromo-benzothiophene 
PubChem13106 
ACMC-1BH1S 
3-bromo benzo[b]thiophene 
AC1L3W6R 
3-Bromo-1-benzothiophene 
3-bromanyl-1-benzothiophene 
3-Bromothianaphthene, 95% 
Benzo[b]thiophene,3-bromo- 
3-Bromo-1-benzothiophene # 
BIDD:GT0742 
SCHEMBL264791 
CTK5D8010 
SRWDQSRTOOMPMO-UHFFFAOYSA- 
DTXSID80223654 
EBD9958 
3-Bromothianaphthene 
ZLD0263 
ZINC158713 
ACT05787 
BCP24971 
BUTTPARK 147\16-62 
KS-00000M5P 
ZX-AT022064 
ANW-54866 
SBB003415 
AKOS004903206 
3-Bromobenzothiophene 
AM87162 
CS-W005311 
FCH1321646 
MCULE-5607815581 
OR23177 
RP04863 
AJ-15324 
BC003717 
CC-14339 
DS-11034 
Benzo[b]thiophene, 3-bromo- 
SC-46482 
SY062543 
ZB007041 
AB0002210 
AB1009157 
AX8005698 
DB-022303 
TR-023845 
B5589 
FT-0615123 
3-Bromo-benzo[b]thiophene 
ST24041967 
ST50319742 
Y9947 
MFCD00023009 (95%) 
Q-7082 
A837829 
C-11207 
J-511788 
InChI=1/C8H5BrS/c9-7-5-10-8-4-2-1-3-6(7)8/h1-5H 
C8H5BrS 
Benzo(b)thiophene, 3-bromo- 
C8-H5-Br-S 
CID123250 
ZINC00158713 
ACN-043161 
3-Bromo-1-benzothiophene, 97% - 1G 1g 
3-bromo benzothiophene 
Benzo[b]thiophene, 3-bromo-, 
Literature

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

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