Home Halogens 2-(4-bromophenyl)-2H-1,2,3-triazole-4-carboxylic acid

2-(4-bromophenyl)-2H-1,2,3-triazole-4-carboxylic acid

CAS No.:
90224-84-3
Catalog Number:
AG01B2OK
Molecular Formula:
C9H6BrN3O2
Molecular Weight:
268.0668
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Product Description
Catalog Number:
AG01B2OK
Chemical Name:
2-(4-bromophenyl)-2H-1,2,3-triazole-4-carboxylic acid
CAS Number:
90224-84-3
Molecular Formula:
C9H6BrN3O2
Molecular Weight:
268.0668
MDL Number:
MFCD03942289
IUPAC Name:
2-(4-bromophenyl)triazole-4-carboxylic acid
InChI:
InChI=1S/C9H6BrN3O2/c10-6-1-3-7(4-2-6)13-11-5-8(12-13)9(14)15/h1-5H,(H,14,15)
InChI Key:
RDTUEBIGFMOKQK-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)n1ncc(n1)C(=O)O
Properties
Complexity:
244  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.964g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
268.07g/mol
Monoisotopic Mass:
266.964g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties