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

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

CAS No.:
91983-44-7
Catalog Number:
AG019ZR5
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG019ZR5
Chemical Name:
2-(4H-1,2,4-triazol-3-yl)phenol
CAS Number:
91983-44-7
MDL Number:
MFCD22378592
IUPAC Name:
2-(1H-1,2,4-triazol-5-yl)phenol
InChI:
InChI=1S/C8H7N3O/c12-7-4-2-1-3-6(7)8-9-5-10-11-8/h1-5,12H,(H,9,10,11)
InChI Key:
XOPCCOBUMDDPJG-UHFFFAOYSA-N
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