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Home Other Building Blocks 1-Boc-1H-1,2,4-triazole

1-Boc-1H-1,2,4-triazole

CAS No.:
41864-24-8
Catalog Number:
AG003ENN
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$31
- +
5g
98%
In Stock USA
United States
$75
- +
25g
98%
In Stock USA
United States
$300
- +
Product Description
Catalog Number:
AG003ENN
Chemical Name:
1-Boc-1H-1,2,4-triazole
CAS Number:
41864-24-8
Molecular Formula:
C7H11N3O2
Molecular Weight:
169.1811
MDL Number:
MFCD00042665
IUPAC Name:
tert-butyl 1,2,4-triazole-1-carboxylate
InChI:
InChI=1S/C7H11N3O2/c1-7(2,3)12-6(11)10-5-8-4-9-10/h4-5H,1-3H3
InChI Key:
XWUFRDJEUOAMNW-UHFFFAOYSA-N
SMILES:
O=C(n1ncnc1)OC(C)(C)C
EC Number:
255-570-5
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.085g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.184g/mol
Monoisotopic Mass:
169.085g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties