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Home Carboxys 7-Bromo-1H-1,2,3-benzotriazole-5-carboxylic acid

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

CAS No.:
1354771-68-8
Catalog Number:
AG009WVR
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$82
- +
1g
98%
In Stock USA
United States
$232
- +
5g
98%
In Stock USA
United States
$669
- +
10g
98%
In Stock USA
United States
$988
- +
Product Description
Catalog Number:
AG009WVR
Chemical Name:
7-Bromo-1H-1,2,3-benzotriazole-5-carboxylic acid
CAS Number:
1354771-68-8
Molecular Formula:
C7H4BrN3O2
Molecular Weight:
242.0296
MDL Number:
MFCD01327190
IUPAC Name:
7-bromo-2H-benzotriazole-5-carboxylic acid
InChI:
InChI=1S/C7H4BrN3O2/c8-4-1-3(7(12)13)2-5-6(4)10-11-9-5/h1-2H,(H,12,13)(H,9,10,11)
InChI Key:
YPEXABMLBITRHQ-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c2c(c1)nn[nH]2
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.949g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
242.032g/mol
Monoisotopic Mass:
240.949g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties