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

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

CAS No.:
335255-82-8
Catalog Number:
AG01A2PN
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01A2PN
Chemical Name:
3-(1H-1,2,3-triazol-1-yl)benzoic acid
CAS Number:
335255-82-8
MDL Number:
MFCD20486493
IUPAC Name:
3-(triazol-1-yl)benzoic acid
InChI:
InChI=1S/C9H7N3O2/c13-9(14)7-2-1-3-8(6-7)12-5-4-10-11-12/h1-6H,(H,13,14)
InChI Key:
NDILQXVACSSLIV-UHFFFAOYSA-N
Properties
Complexity:
222  
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