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Home Halogens 1-[4-(2,4-Dichlorophenoxy)phenyl]-5-phenyl-[1,2,3]triazole-4-carboxylic acid

1-[4-(2,4-Dichlorophenoxy)phenyl]-5-phenyl-[1,2,3]triazole-4-carboxylic acid

CAS No.:
832113-71-0
Catalog Number:
AG01EXKV
Molecular Formula:
C21H13Cl2N3O3
Molecular Weight:
426.2522
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5mg
1 week
United States
$173
- +
100mg
1 week
United States
$256
- +
Product Description
Catalog Number:
AG01EXKV
Chemical Name:
1-[4-(2,4-Dichlorophenoxy)phenyl]-5-phenyl-[1,2,3]triazole-4-carboxylic acid
CAS Number:
832113-71-0
Molecular Formula:
C21H13Cl2N3O3
Molecular Weight:
426.2522
MDL Number:
MFCD05664166
IUPAC Name:
1-[4-(2,4-dichlorophenoxy)phenyl]-5-phenyltriazole-4-carboxylic acid
InChI:
InChI=1S/C21H13Cl2N3O3/c22-14-6-11-18(17(23)12-14)29-16-9-7-15(8-10-16)26-20(13-4-2-1-3-5-13)19(21(27)28)24-25-26/h1-12H,(H,27,28)
InChI Key:
YTVWMTWDAMIYGL-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)Oc1ccc(cc1)n1nnc(c1c1ccccc1)C(=O)O
Properties
Complexity:
555  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.033g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
426.253g/mol
Monoisotopic Mass:
425.033g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.7  
Properties