Home Halogens tert-Butyl 3-(bromomethyl)-1h-pyrazole-1-carboxylate

tert-Butyl 3-(bromomethyl)-1h-pyrazole-1-carboxylate

CAS No.:
186551-69-9
Catalog Number:
AG003ABS
Molecular Formula:
C9H13BrN2O2
Molecular Weight:
261.1157
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$1140
- +
1g
95%
In Stock USA
United States
$2850
- +
Product Description
Catalog Number:
AG003ABS
Chemical Name:
tert-Butyl 3-(bromomethyl)-1h-pyrazole-1-carboxylate
CAS Number:
186551-69-9
Molecular Formula:
C9H13BrN2O2
Molecular Weight:
261.1157
MDL Number:
MFCD09701344
IUPAC Name:
tert-butyl 3-(bromomethyl)pyrazole-1-carboxylate
InChI:
InChI=1S/C9H13BrN2O2/c1-9(2,3)14-8(13)12-5-4-7(6-10)11-12/h4-5H,6H2,1-3H3
InChI Key:
PZYLFTPEOMFQFJ-UHFFFAOYSA-N
SMILES:
BrCc1ccn(n1)C(=O)OC(C)(C)C
Properties
Complexity:
215  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.016g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.119g/mol
Monoisotopic Mass:
260.016g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties