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

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

CAS No.:
160921-55-1
Catalog Number:
AG01C30Z
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
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Product Description
Catalog Number:
AG01C30Z
Chemical Name:
4-chloro-2-(1H-1,2,3-triazol-1-yl)phenol
CAS Number:
160921-55-1
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
MDL Number:
MFCD24725518
IUPAC Name:
4-chloro-2-(triazol-1-yl)phenol
InChI:
InChI=1S/C8H6ClN3O/c9-6-1-2-8(13)7(5-6)12-4-3-10-11-12/h1-5,13H
InChI Key:
FUAIDQWVHMOMLW-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)n1nncc1)O
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
195.606g/mol
Monoisotopic Mass:
195.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Properties