Home Other Building Blocks 3-(1H-Tetrazol-1-yl)benzoic acid

3-(1H-Tetrazol-1-yl)benzoic acid

CAS No.:
204196-80-5
Catalog Number:
AG0029BR
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$57
- +
5g
97%
In Stock USA
United States
$238
- +
10g
97%
In Stock USA
United States
$400
- +
25g
97%
In Stock USA
United States
$900
- +
Product Description
Catalog Number:
AG0029BR
Chemical Name:
3-(1H-Tetrazol-1-yl)benzoic acid
CAS Number:
204196-80-5
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
MDL Number:
MFCD00574247
IUPAC Name:
3-(tetrazol-1-yl)benzoic acid
InChI:
InChI=1S/C8H6N4O2/c13-8(14)6-2-1-3-7(4-6)12-5-9-10-11-12/h1-5H,(H,13,14)
InChI Key:
UNTMKIYQHROFCP-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)n1cnnn1
Properties
Complexity:
223  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.162g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties