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

4-(1H-1,2,3-triazol-4-yl)benzoic acid

CAS No.:
1256164-21-2
Catalog Number:
AG01DV4L
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
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Product Description
Catalog Number:
AG01DV4L
Chemical Name:
4-(1H-1,2,3-triazol-4-yl)benzoic acid
CAS Number:
1256164-21-2
Molecular Formula:
C9H7N3O2
Molecular Weight:
189.1708
MDL Number:
MFCD20660955
IUPAC Name:
4-(2H-triazol-4-yl)benzoic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)7-3-1-6(2-4-7)8-5-10-12-11-8/h1-5H,(H,13,14)(H,10,11,12)
InChI Key:
QMHVMBUQARDKEU-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1c[nH]nn1
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:
2  
Isotope Atom Count:
0
Molecular Weight:
189.174g/mol
Monoisotopic Mass:
189.054g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties