Home Sulfos 2-(5-Methanesulfonyl-3-phenyl-[1,2,4]triazol-4-yl)-acetic acid

2-(5-Methanesulfonyl-3-phenyl-[1,2,4]triazol-4-yl)-acetic acid

CAS No.:
892874-30-5
Catalog Number:
AG0040NY
Molecular Formula:
C11H11N3O4S
Molecular Weight:
281.2877
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
In Stock USA
United States
$116
- +
500mg
In Stock USA
United States
$207
- +
1g
In Stock USA
United States
$373
- +
2.5g
In Stock USA
United States
$811
- +
5g
In Stock USA
United States
$1491
- +
Product Description
Catalog Number:
AG0040NY
Chemical Name:
2-(5-Methanesulfonyl-3-phenyl-[1,2,4]triazol-4-yl)-acetic acid
CAS Number:
892874-30-5
Molecular Formula:
C11H11N3O4S
Molecular Weight:
281.2877
MDL Number:
MFCD10703489
IUPAC Name:
2-(3-methylsulfonyl-5-phenyl-1,2,4-triazol-4-yl)acetic acid
InChI:
InChI=1S/C11H11N3O4S/c1-19(17,18)11-13-12-10(14(11)7-9(15)16)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,15,16)
InChI Key:
KSVAMMCIUJYEPD-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1c(nnc1S(=O)(=O)C)c1ccccc1
Properties
Complexity:
428  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.047g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
281.286g/mol
Monoisotopic Mass:
281.047g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Properties