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

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

CAS No.:
1340352-96-6
Catalog Number:
AG01AKXR
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
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Product Description
Catalog Number:
AG01AKXR
Chemical Name:
4-(5-methyl-4H-1,2,4-triazol-3-yl)benzoic acid
CAS Number:
1340352-96-6
Molecular Formula:
C10H9N3O2
Molecular Weight:
203.1974
MDL Number:
MFCD20501917
IUPAC Name:
4-(5-methyl-1H-1,2,4-triazol-3-yl)benzoic acid
InChI:
InChI=1S/C10H9N3O2/c1-6-11-9(13-12-6)7-2-4-8(5-3-7)10(14)15/h2-5H,1H3,(H,14,15)(H,11,12,13)
InChI Key:
LBLKYLOSXMVJQJ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1nnc([nH]1)C
Properties
Complexity:
239  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.069g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.201g/mol
Monoisotopic Mass:
203.069g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties