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Home Halogens tert-Butyl 3,5-dibromo-1,2,4-triazole-1-carboxylate

tert-Butyl 3,5-dibromo-1,2,4-triazole-1-carboxylate

CAS No.:
2055119-03-2
Catalog Number:
AG00I3WE
Molecular Formula:
C7H9Br2N3O2
Molecular Weight:
326.9733
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$113
- +
5g
95%
In Stock USA
United States
$425
- +
Product Description
Catalog Number:
AG00I3WE
Chemical Name:
tert-Butyl 3,5-dibromo-1,2,4-triazole-1-carboxylate
CAS Number:
2055119-03-2
Molecular Formula:
C7H9Br2N3O2
Molecular Weight:
326.9733
MDL Number:
MFCD30527641
IUPAC Name:
tert-butyl 3,5-dibromo-1,2,4-triazole-1-carboxylate
InChI:
InChI=1S/C7H9Br2N3O2/c1-7(2,3)14-6(13)12-5(9)10-4(8)11-12/h1-3H3
InChI Key:
VBRAYLVMILIFIM-UHFFFAOYSA-N
SMILES:
O=C(n1nc(nc1Br)Br)OC(C)(C)C
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.904g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.976g/mol
Monoisotopic Mass:
324.906g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Properties