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

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

CAS No.:
1192064-41-7
Catalog Number:
AG01AHRN
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
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Product Description
Catalog Number:
AG01AHRN
Chemical Name:
3-(1H-1,2,4-triazol-1-yl)phenol
CAS Number:
1192064-41-7
Molecular Formula:
C8H7N3O
Molecular Weight:
161.1607
MDL Number:
MFCD19686221
IUPAC Name:
3-(1,2,4-triazol-1-yl)phenol
InChI:
InChI=1S/C8H7N3O/c12-8-3-1-2-7(4-8)11-6-9-5-10-11/h1-6,12H
InChI Key:
SHZZCMTYFATJGO-UHFFFAOYSA-N
SMILES:
Oc1cccc(c1)n1cncn1
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:
1  
Isotope Atom Count:
0
Molecular Weight:
161.164g/mol
Monoisotopic Mass:
161.059g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties