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Home Halogens Methyl 7-bromo-1-methyl-1,2,3-benzotriazole-5-carboxylate

Methyl 7-bromo-1-methyl-1,2,3-benzotriazole-5-carboxylate

CAS No.:
1420800-14-1
Catalog Number:
AG009WT5
Molecular Formula:
C9H8BrN3O2
Molecular Weight:
270.0827
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$188
- +
5g
95%
In Stock USA
United States
$700
- +
Product Description
Catalog Number:
AG009WT5
Chemical Name:
Methyl 7-bromo-1-methyl-1,2,3-benzotriazole-5-carboxylate
CAS Number:
1420800-14-1
Molecular Formula:
C9H8BrN3O2
Molecular Weight:
270.0827
MDL Number:
MFCD22689137
IUPAC Name:
methyl 7-bromo-1-methylbenzotriazole-5-carboxylate
InChI:
InChI=1S/C9H8BrN3O2/c1-13-8-6(10)3-5(9(14)15-2)4-7(8)11-12-13/h3-4H,1-2H3
InChI Key:
NHALTCGLXRMQNZ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c2c(c1)nnn2C
Properties
Complexity:
264  
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:
0
Isotope Atom Count:
0
Molecular Weight:
270.086g/mol
Monoisotopic Mass:
268.98g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties