Home Bromides 101079-64-5
101079-64-5,MFCD09834014
Catalog No.:AA0003L4
101079-64-5 | 5-Bromo-3-nitrothiophene-2-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$625.00   $438.00
- +
500mg
95.0%
3 weeks  
$949.00   $664.00
- +
1g
95.0%
3 weeks  
$1,198.00   $839.00
- +
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Technical Information
Catalog Number:
AA0003L4
Chemical Name:
5-Bromo-3-nitrothiophene-2-carboxylic acid
CAS Number:
101079-64-5
Molecular Formula:
C5H2BrNO4S
Molecular Weight:
252.0427
MDL Number:
MFCD09834014
IUPAC Name:
5-bromo-3-nitrothiophene-2-carboxylic acid
InChI:
InChI=1S/C5H2BrNO4S/c6-3-1-2(7(10)11)4(12-3)5(8)9/h1H,(H,8,9)
InChI Key:
HJCDDONOCCNMLW-UHFFFAOYSA-N
SMILES:
Brc1sc(c(c1)[N+](=O)[O-])C(=O)O
Properties
Computed Properties
 
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.889g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
252.038g/mol
Monoisotopic Mass:
250.889g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
5-Bromo-3-nitrothiophene-2-carboxylic acid 
101079-64-5 
NE24031 
AJ-80533 
FT-0701506 
5-bromo-3-nitro-2-Thiophenecarboxylic acid 
2-Thiophenecarboxylic acid, 5-bromo-3-nitro- 
ACMC-20m44u 
SCHEMBL4159524 
CTK0G8464 
DTXSID90652370 
HJCDDONOCCNMLW-UHFFFAOYSA-N 
ZINC22012924 
AKOS016012808 
Literature
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