Home Other Building Blocks 4-(1,2,3-Triazol-1-yl)benzoic acid

4-(1,2,3-Triazol-1-yl)benzoic acid

CAS No.:
216959-87-4
Catalog Number:
AG01A34G
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$438
- +
5g
97%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG01A34G
Chemical Name:
4-(1,2,3-Triazol-1-yl)benzoic acid
CAS Number:
216959-87-4
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD20483616
IUPAC Name:
4-(triazol-1-yl)benzoic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)7-1-3-8(4-2-7)12-6-5-10-11-12/h1-6H,(H,13,14)
InChI Key:
JTHKCLWGWCRWRN-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)n1ccnn1
Properties
Complexity:
214  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.054g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties