Home Other Building Blocks 4-fluoro-2-(4H-1,2,4-triazol-4-yl)phenol

4-fluoro-2-(4H-1,2,4-triazol-4-yl)phenol

CAS No.:
1784874-39-0
Catalog Number:
AG01DYY9
Molecular Formula:
C8H6FN3O
Molecular Weight:
179.1511
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Product Description
Catalog Number:
AG01DYY9
Chemical Name:
4-fluoro-2-(4H-1,2,4-triazol-4-yl)phenol
CAS Number:
1784874-39-0
Molecular Formula:
C8H6FN3O
Molecular Weight:
179.1511
MDL Number:
MFCD28520388
IUPAC Name:
4-fluoro-2-(1,2,4-triazol-4-yl)phenol
InChI:
InChI=1S/C8H6FN3O/c9-6-1-2-8(13)7(3-6)12-4-10-11-5-12/h1-5,13H
InChI Key:
KZKHODYKDRUGJK-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)n1cnnc1)O
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.049g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
179.154g/mol
Monoisotopic Mass:
179.049g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties