Home Halogens Methyl 4-bromo-1h-pyrazole-3-carboxylate

Methyl 4-bromo-1h-pyrazole-3-carboxylate

CAS No.:
81190-89-8
Catalog Number:
AG001UKY
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$132
- +
10g
98%
In Stock USA
United States
$200
- +
25g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG001UKY
Chemical Name:
Methyl 4-bromo-1h-pyrazole-3-carboxylate
CAS Number:
81190-89-8
Molecular Formula:
C5H5BrN2O2
Molecular Weight:
205.0094
MDL Number:
MFCD00619124
IUPAC Name:
methyl 4-bromo-1H-pyrazole-5-carboxylate
InChI:
InChI=1S/C5H5BrN2O2/c1-10-5(9)4-3(6)2-7-8-4/h2H,1H3,(H,7,8)
InChI Key:
KWQDACZQHJCUNK-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]cc1Br
Properties
Complexity:
142  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.953g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.011g/mol
Monoisotopic Mass:
203.953g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties