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Home Other Building Blocks 4-(1H-Tetrazol-5-yl)benzoic acid

4-(1H-Tetrazol-5-yl)benzoic acid

CAS No.:
34114-12-0
Catalog Number:
AG0033SI
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$500
- +
25g
98%
In Stock USA
United States
$1000
- +
Product Description
Catalog Number:
AG0033SI
Chemical Name:
4-(1H-Tetrazol-5-yl)benzoic acid
CAS Number:
34114-12-0
Molecular Formula:
C8H6N4O2
Molecular Weight:
190.1588
MDL Number:
MFCD06345720
IUPAC Name:
4-(2H-tetrazol-5-yl)benzoic acid
InChI:
InChI=1S/C8H6N4O2/c13-8(14)6-3-1-5(2-4-6)7-9-11-12-10-7/h1-4H,(H,13,14)(H,9,10,11,12)
InChI Key:
GEKBULKUEADYRB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1nnn[nH]1
NSC Number:
282009
Properties
Complexity:
215  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
190.162g/mol
Monoisotopic Mass:
190.049g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Tuning the framework topologies of Co(II)-doped Zn(II)-tetrazole-benzoate coordination polymers by ligand modifications: structures and spectral studies. Inorganic chemistry 20090420
Properties