Home Halogens Methyl 7-bromo-1H-benzotriazole-5-carboxylate

Methyl 7-bromo-1H-benzotriazole-5-carboxylate

CAS No.:
1354758-03-4
Catalog Number:
AG009WYI
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$150
- +
5g
98%
In Stock USA
United States
$450
- +
10g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG009WYI
Chemical Name:
Methyl 7-bromo-1H-benzotriazole-5-carboxylate
CAS Number:
1354758-03-4
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
MDL Number:
MFCD20501506
IUPAC Name:
methyl 7-bromo-2H-benzotriazole-5-carboxylate
InChI:
InChI=1S/C8H6BrN3O2/c1-14-8(13)4-2-5(9)7-6(3-4)10-12-11-7/h2-3H,1H3,(H,10,11,12)
InChI Key:
OZWKQWWQLBRWJU-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c2c(c1)nn[nH]2
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.964g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.059g/mol
Monoisotopic Mass:
254.964g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties