Home Carboxys 1H-1,2,4-Triazole-3-carboxylic acid, 1-(4-fluorophenyl)-5-methyl-

1H-1,2,4-Triazole-3-carboxylic acid, 1-(4-fluorophenyl)-5-methyl-

CAS No.:
103058-62-4
Catalog Number:
AG00H9Y5
Molecular Formula:
C10H8FN3O2
Molecular Weight:
221.1878
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Product Description
Catalog Number:
AG00H9Y5
Chemical Name:
1H-1,2,4-Triazole-3-carboxylic acid, 1-(4-fluorophenyl)-5-methyl-
CAS Number:
103058-62-4
Molecular Formula:
C10H8FN3O2
Molecular Weight:
221.1878
MDL Number:
MFCD00172410
IUPAC Name:
1-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxylic acid
InChI:
InChI=1S/C10H8FN3O2/c1-6-12-9(10(15)16)13-14(6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H,15,16)
InChI Key:
IOKWGFCAXYAKKM-UHFFFAOYSA-N
SMILES:
OC(=O)c1nc(n(n1)c1ccc(cc1)F)C
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.06g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
221.191g/mol
Monoisotopic Mass:
221.06g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties