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

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

CAS No.:
167626-65-5
Catalog Number:
AG001XIF
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$289
- +
5g
95%
In Stock USA
United States
$858
- +
Product Description
Catalog Number:
AG001XIF
Chemical Name:
2-(4H-1,2,4-Triazol-4-yl)benzoic acid
CAS Number:
167626-65-5
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD11983265
IUPAC Name:
2-(1,2,4-triazol-4-yl)benzoic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)7-3-1-2-4-8(7)12-5-10-11-6-12/h1-6H,(H,13,14)
InChI Key:
PFRSCKSDWKIZSR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccccc1n1cnnc1
Properties
Complexity:
216  
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:
0.6  
Properties