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Home Carboxys 1-(4-Bromophenyl)-5-methyl-1h-1,2,3-triazole-4-carboxylic acid

1-(4-Bromophenyl)-5-methyl-1h-1,2,3-triazole-4-carboxylic acid

CAS No.:
20725-34-2
Catalog Number:
AG00J447
Molecular Formula:
C10H8BrN3O2
Molecular Weight:
282.0934
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG00J447
Chemical Name:
1-(4-Bromophenyl)-5-methyl-1h-1,2,3-triazole-4-carboxylic acid
CAS Number:
20725-34-2
Molecular Formula:
C10H8BrN3O2
Molecular Weight:
282.0934
MDL Number:
MFCD02168482
IUPAC Name:
1-(4-bromophenyl)-5-methyltriazole-4-carboxylic acid
InChI:
InChI=1S/C10H8BrN3O2/c1-6-9(10(15)16)12-13-14(6)8-4-2-7(11)3-5-8/h2-5H,1H3,(H,15,16)
InChI Key:
FPTYOFQUENAVEO-UHFFFAOYSA-N
SMILES:
OC(=O)c1nnn(c1C)c1ccc(cc1)Br
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.98g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
282.097g/mol
Monoisotopic Mass:
280.98g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties