Home Halogens Ethyl 3-bromo-1H-pyrazole-4-carboxylate

Ethyl 3-bromo-1H-pyrazole-4-carboxylate

CAS No.:
1353100-91-0
Catalog Number:
AG007ZMQ
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
96%
In Stock USA
United States
$75
- +
1g
96%
In Stock USA
United States
$138
- +
5g
96%
In Stock USA
United States
$438
- +
10g
96%
In Stock USA
United States
$775
- +
25g
96%
In Stock USA
United States
$1438
- +
Product Description
Catalog Number:
AG007ZMQ
Chemical Name:
Ethyl 3-bromo-1H-pyrazole-4-carboxylate
CAS Number:
1353100-91-0
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
MDL Number:
MFCD12032195
IUPAC Name:
ethyl 5-bromo-1H-pyrazole-4-carboxylate
InChI:
InChI=1S/C6H7BrN2O2/c1-2-11-6(10)4-3-8-9-5(4)7/h3H,2H2,1H3,(H,8,9)
InChI Key:
HMONTLMXUZERMC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c[nH]nc1Br
Properties
Complexity:
154  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.969g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
219.038g/mol
Monoisotopic Mass:
217.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties