Home Halogens 1-BOC-4-bromopyrazole

1-BOC-4-bromopyrazole

CAS No.:
1150271-23-0
Catalog Number:
AG000FP2
Molecular Formula:
C8H11BrN2O2
Molecular Weight:
247.0891
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$88
- +
100g
98%
In Stock USA
United States
$263
- +
500g
98%
In Stock USA
United States
$1050
- +
Product Description
Catalog Number:
AG000FP2
Chemical Name:
1-BOC-4-bromopyrazole
CAS Number:
1150271-23-0
Molecular Formula:
C8H11BrN2O2
Molecular Weight:
247.0891
MDL Number:
MFCD09999163
IUPAC Name:
tert-butyl 4-bromopyrazole-1-carboxylate
InChI:
InChI=1S/C8H11BrN2O2/c1-8(2,3)13-7(12)11-5-6(9)4-10-11/h4-5H,1-3H3
InChI Key:
IQEFCRDQVLIADR-UHFFFAOYSA-N
SMILES:
O=C(n1ncc(c1)Br)OC(C)(C)C
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.092g/mol
Monoisotopic Mass:
246g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties