Home Halogens Methyl 2-(4-bromo-1H-pyrazol-1-yl)acetate

Methyl 2-(4-bromo-1H-pyrazol-1-yl)acetate

CAS No.:
1072944-71-8
Catalog Number:
AG008527
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$47
- +
5g
97%
In Stock USA
United States
$144
- +
10g
97%
In Stock USA
United States
$244
- +
25g
97%
In Stock USA
United States
$582
- +
Product Description
Catalog Number:
AG008527
Chemical Name:
Methyl 2-(4-bromo-1H-pyrazol-1-yl)acetate
CAS Number:
1072944-71-8
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
MDL Number:
MFCD09878400
IUPAC Name:
methyl 2-(4-bromopyrazol-1-yl)acetate
InChI:
InChI=1S/C6H7BrN2O2/c1-11-6(10)4-9-3-5(7)2-8-9/h2-3H,4H2,1H3
InChI Key:
YLIKWVCFKYAWBV-UHFFFAOYSA-N
SMILES:
COC(=O)Cn1cc(cn1)Br
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:
0
Isotope Atom Count:
0
Molecular Weight:
219.038g/mol
Monoisotopic Mass:
217.969g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties