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

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

CAS No.:
1803601-79-7
Catalog Number:
AG01BAKX
Molecular Formula:
C8H8BrN3O
Molecular Weight:
242.0726
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Product Description
Catalog Number:
AG01BAKX
Chemical Name:
4-(1H-1,2,3-triazol-4-yl)phenol hydrobromide
CAS Number:
1803601-79-7
Molecular Formula:
C8H8BrN3O
Molecular Weight:
242.0726
MDL Number:
MFCD28397681
IUPAC Name:
4-(2H-triazol-4-yl)phenol;hydrobromide
InChI:
InChI=1S/C8H7N3O.BrH/c12-7-3-1-6(2-4-7)8-5-9-11-10-8;/h1-5,12H,(H,9,10,11);1H
InChI Key:
YXWBEJCWPBTNMO-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nn[nH]c1.Br
Properties
Complexity:
145  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.985g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
242.076g/mol
Monoisotopic Mass:
240.985g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties