Home Bromides 1784095-49-3
1784095-49-3,MFCD31736102
Catalog No.:AA01EL7V
1784095-49-3 | 5-bromo-3-methoxy-1-methyl-1H-pyrazole-4-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95.0%
3 weeks  
$722.00
- +
500mg
95.0%
3 weeks  
$1,120.00
- +
1g
95.0%
3 weeks  
$1,428.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA01EL7V
Chemical Name:
5-bromo-3-methoxy-1-methyl-1H-pyrazole-4-carboxylic acid
CAS Number:
1784095-49-3
Molecular Formula:
C6H7BrN2O3
Molecular Weight:
235.0354
MDL Number:
MFCD31736102
IUPAC Name:
5-bromo-3-methoxy-1-methylpyrazole-4-carboxylic acid
InChI:
InChI=1S/C6H7BrN2O3/c1-9-4(7)3(6(10)11)5(8-9)12-2/h1-2H3,(H,10,11)
InChI Key:
HLVITVHVNZZHDO-UHFFFAOYSA-N
SMILES:
COc1nn(c(c1C(=O)O)Br)C
Properties
Computed Properties
 
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.964g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.037g/mol
Monoisotopic Mass:
233.964g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
5-bromo-3-methoxy-1-methyl-1H-pyrazole-4-carboxylic acid 
1784095-49-3 
Literature
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