Home Other Building Blocks 4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzoic acid

4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzoic acid

CAS No.:
1339655-63-8
Catalog Number:
AG01E8F9
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01E8F9
Chemical Name:
4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzoic acid
CAS Number:
1339655-63-8
MDL Number:
MFCD17251874
IUPAC Name:
4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzoic acid
InChI:
InChI=1S/C11H11N3O2/c1-2-9-12-10(14-13-9)7-3-5-8(6-4-7)11(15)16/h3-6H,2H2,1H3,(H,15,16)(H,12,13,14)
InChI Key:
NXOMGTCNHIOPIH-UHFFFAOYSA-N
Properties
Complexity:
252  
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:
2  
Isotope Atom Count:
0
Molecular Weight:
217.228g/mol
Monoisotopic Mass:
217.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties