Home Other Building Blocks 3-(4H-1,2,4-triazol-3-yl)phenol

3-(4H-1,2,4-triazol-3-yl)phenol

CAS No.:
1333823-62-3
Catalog Number:
AG01EMG4
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
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Product Description
Catalog Number:
AG01EMG4
Chemical Name:
3-(4H-1,2,4-triazol-3-yl)phenol
CAS Number:
1333823-62-3
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD20534944
IUPAC Name:
3-(1H-1,2,4-triazol-5-yl)phenol
InChI:
InChI=1S/C8H7N3O/c12-7-3-1-2-6(4-7)8-9-5-10-11-8/h1-5,12H,(H,9,10,11)
InChI Key:
VYGYOXRDZPLXLU-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)c1nnc[nH]1
Properties
Complexity:
153  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.059g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties