sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 7-Bromo-1-methyl-1,2,3-benzotriazole-5-carboxylic acid

7-Bromo-1-methyl-1,2,3-benzotriazole-5-carboxylic acid

CAS No.:
1420800-38-9
Catalog Number:
AG009WXN
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
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:
AG009WXN
Chemical Name:
7-Bromo-1-methyl-1,2,3-benzotriazole-5-carboxylic acid
CAS Number:
1420800-38-9
Molecular Formula:
C8H6BrN3O2
Molecular Weight:
256.0561
MDL Number:
MFCD22689140
IUPAC Name:
7-bromo-1-methylbenzotriazole-5-carboxylic acid
InChI:
InChI=1S/C8H6BrN3O2/c1-12-7-5(9)2-4(8(13)14)3-6(7)10-11-12/h2-3H,1H3,(H,13,14)
InChI Key:
UUQACSHHQKNJCT-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c2c(c1)nnn2C
Properties
Complexity:
251  
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:
1  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties