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Home Halogens Ethyl 7-bromo-1H-1,2,3-benzotriazole-5-carboxylate

Ethyl 7-bromo-1H-1,2,3-benzotriazole-5-carboxylate

CAS No.:
1246759-55-6
Catalog Number:
AG009WYD
Molecular Formula:
C9H8BrN3O2
Molecular Weight:
270.0827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$225
- +
10g
98%
In Stock USA
United States
$350
- +
25g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG009WYD
Chemical Name:
Ethyl 7-bromo-1H-1,2,3-benzotriazole-5-carboxylate
CAS Number:
1246759-55-6
Molecular Formula:
C9H8BrN3O2
Molecular Weight:
270.0827
MDL Number:
MFCD20501507
IUPAC Name:
ethyl 7-bromo-2H-benzotriazole-5-carboxylate
InChI:
InChI=1S/C9H8BrN3O2/c1-2-15-9(14)5-3-6(10)8-7(4-5)11-13-12-8/h3-4H,2H2,1H3,(H,11,12,13)
InChI Key:
HJZDKZUAVJDISU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(Br)c2c(c1)nn[nH]2
Properties
Complexity:
252  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.98g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
270.086g/mol
Monoisotopic Mass:
268.98g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties