Home Bromides 100367-77-9
100367-77-9,MFCD03788564
Catalog No.:AA0001NR
100367-77-9 | 4-Thiazolecarboxylic acid, 2-bromo-, ethyl ester
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
97%
in stock  
$9.00
- +
5g
97%
in stock  
$19.00
- +
25g
96%
in stock  
$75.00
- +
100g
95%
in stock  
$282.00
- +
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Technical Information
Catalog Number:
AA0001NR
Chemical Name:
4-Thiazolecarboxylic acid, 2-bromo-, ethyl ester
CAS Number:
100367-77-9
Molecular Formula:
C6H6BrNO2S
Molecular Weight:
236.0863
MDL Number:
MFCD03788564
IUPAC Name:
ethyl 2-bromo-1,3-thiazole-4-carboxylate
InChI:
InChI=1S/C6H6BrNO2S/c1-2-10-5(9)4-3-11-6(7)8-4/h3H,2H2,1H3
InChI Key:
CNHISCQPKKGDPO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1csc(n1)Br
NSC Number:
603614
Properties
Computed Properties
 
Complexity:
156  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.93g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.083g/mol
Monoisotopic Mass:
234.93g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

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