Home Halogens Methyl 4-bromo-5-methyl-1h-pyrazole-3-carboxylate

Methyl 4-bromo-5-methyl-1h-pyrazole-3-carboxylate

CAS No.:
1232838-31-1
Catalog Number:
AG000K95
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG000K95
Chemical Name:
Methyl 4-bromo-5-methyl-1h-pyrazole-3-carboxylate
CAS Number:
1232838-31-1
Molecular Formula:
C6H7BrN2O2
Molecular Weight:
219.0360
MDL Number:
MFCD08056667
IUPAC Name:
methyl 4-bromo-5-methyl-1H-pyrazole-3-carboxylate
InChI:
InChI=1S/C6H7BrN2O2/c1-3-4(7)5(9-8-3)6(10)11-2/h1-2H3,(H,8,9)
InChI Key:
QOTBTHHHTJJTRR-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c(c1Br)C
Properties
Complexity:
165  
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:
2  
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties