Home Carboxys 1H-Benzo[d][1,2,3]triazole-4-carboxylic acid

1H-Benzo[d][1,2,3]triazole-4-carboxylic acid

CAS No.:
62972-61-6
Catalog Number:
AG00EG5V
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$358
- +
5g
95%
In Stock USA
United States
$1136
- +
Product Description
Catalog Number:
AG00EG5V
Chemical Name:
1H-Benzo[d][1,2,3]triazole-4-carboxylic acid
CAS Number:
62972-61-6
Molecular Formula:
C7H5N3O2
Molecular Weight:
163.1335
MDL Number:
MFCD18088581
IUPAC Name:
2H-benzotriazole-4-carboxylic acid
InChI:
InChI=1S/C7H5N3O2/c11-7(12)4-2-1-3-5-6(4)9-10-8-5/h1-3H,(H,11,12)(H,8,9,10)
InChI Key:
KFJDQPJLANOOOB-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc2c1nn[nH]2
Properties
Complexity:
197  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.038g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
163.136g/mol
Monoisotopic Mass:
163.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties