Home Carboxys 1-(2-ethylphenyl)-1H-1,2,3-triazole-4-carboxylic acid

1-(2-ethylphenyl)-1H-1,2,3-triazole-4-carboxylic acid

CAS No.:
1042604-57-8
Catalog Number:
AG01C3CJ
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01C3CJ
Chemical Name:
1-(2-ethylphenyl)-1H-1,2,3-triazole-4-carboxylic acid
CAS Number:
1042604-57-8
MDL Number:
MFCD11168144
IUPAC Name:
1-(2-ethylphenyl)triazole-4-carboxylic acid
InChI:
InChI=1S/C11H11N3O2/c1-2-8-5-3-4-6-10(8)14-7-9(11(15)16)12-13-14/h3-7H,2H2,1H3,(H,15,16)
InChI Key:
WFDDBKWGQXYHMO-UHFFFAOYSA-N
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.085g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties