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Home Halogens Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)acetate

Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)acetate

CAS No.:
1243250-13-6
Catalog Number:
AG009DSW
Molecular Formula:
C6H8BrN3O2
Molecular Weight:
234.0506
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:
AG009DSW
Chemical Name:
Ethyl 2-(3-bromo-1H-1,2,4-triazol-1-yl)acetate
CAS Number:
1243250-13-6
Molecular Formula:
C6H8BrN3O2
Molecular Weight:
234.0506
MDL Number:
MFCD17078879
IUPAC Name:
ethyl 2-(3-bromo-1,2,4-triazol-1-yl)acetate
InChI:
InChI=1S/C6H8BrN3O2/c1-2-12-5(11)3-10-4-8-6(7)9-10/h4H,2-3H2,1H3
InChI Key:
PBUXBPCBEQVRST-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cn1cnc(n1)Br
Properties
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.98g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.053g/mol
Monoisotopic Mass:
232.98g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties