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

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

CAS No.:
2110265-50-2
Catalog Number:
AG01EMQ7
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
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Product Description
Catalog Number:
AG01EMQ7
Chemical Name:
4-[(4H-1,2,4-triazol-3-yl)methoxy]phenol
CAS Number:
2110265-50-2
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD31665248
IUPAC Name:
4-(1H-1,2,4-triazol-5-ylmethoxy)phenol
InChI:
InChI=1S/C9H9N3O2/c13-7-1-3-8(4-2-7)14-5-9-10-6-11-12-9/h1-4,6,13H,5H2,(H,10,11,12)
InChI Key:
REWYGTIEIIGCCE-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)OCc1[nH]cnn1
Properties
Complexity:
171  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties