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Home Halogens Methyl 5-bromo-4H-[1,2,4]triazole-3-carboxylate

Methyl 5-bromo-4H-[1,2,4]triazole-3-carboxylate

CAS No.:
704911-47-7
Catalog Number:
AG003RX5
Molecular Formula:
C4H4BrN3O2
Molecular Weight:
205.9975
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$107
- +
5g
98%
In Stock USA
United States
$400
- +
10g
98%
In Stock USA
United States
$682
- +
25g
98%
In Stock USA
United States
$1319
- +
100g
98%
In Stock USA
United States
$3475
- +
Product Description
Catalog Number:
AG003RX5
Chemical Name:
Methyl 5-bromo-4H-[1,2,4]triazole-3-carboxylate
CAS Number:
704911-47-7
Molecular Formula:
C4H4BrN3O2
Molecular Weight:
205.9975
MDL Number:
MFCD14155904
IUPAC Name:
methyl 5-bromo-1H-1,2,4-triazole-3-carboxylate
InChI:
InChI=1S/C4H4BrN3O2/c1-10-3(9)2-6-4(5)8-7-2/h1H3,(H,6,7,8)
InChI Key:
GRIBRWPXKUMRDX-UHFFFAOYSA-N
SMILES:
COC(=O)c1n[nH]c(n1)Br
Properties
Complexity:
143  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.949g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.999g/mol
Monoisotopic Mass:
204.949g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties