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Home Other Building Blocks 1-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-ol

1-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-ol

CAS No.:
522634-31-7
Catalog Number:
AG01C34Q
Molecular Formula:
C9H6F3N3O
Molecular Weight:
229.1586
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Product Description
Catalog Number:
AG01C34Q
Chemical Name:
1-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-ol
CAS Number:
522634-31-7
Molecular Formula:
C9H6F3N3O
Molecular Weight:
229.1586
MDL Number:
MFCD24191047
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one
InChI:
InChI=1S/C9H6F3N3O/c10-9(11,12)6-1-3-7(4-2-6)15-5-13-8(16)14-15/h1-5H,(H,14,16)
InChI Key:
OUGYZOFPWJPXLA-UHFFFAOYSA-N
SMILES:
FC(c1ccc(cc1)n1cnc(n1)O)(F)F
Properties
Complexity:
308  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.046g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.162g/mol
Monoisotopic Mass:
229.046g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties