200,000+ products from a single source!
sales@angenechem.com
99796-35-7 | 2-(2,4-dichlorophenoxy)propanoic acid; 4-hydroxy-3,5-diiodo-benzonitrile; 3-isopropyl-2,2-dioxo-1h-benzo[d][1,2,6]thiadiazin-4-one
CAS No: 99796-35-7 Catalog No: AG003W1U MDL No:
Product Description
Catalog Number:
AG003W1U
Chemical Name:
2-(2,4-dichlorophenoxy)propanoic acid; 4-hydroxy-3,5-diiodo-benzonitrile; 3-isopropyl-2,2-dioxo-1h-benzo[d][1,2,6]thiadiazin-4-one
CAS Number:
99796-35-7
Molecular Formula:
C26H23Cl2I2N3O7S
Molecular Weight:
846.2567
IUPAC Name:
2-(2,4-dichlorophenoxy)propanoic acid;2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one;4-hydroxy-3,5-diiodobenzonitrile
InChI:
InChI=1S/C10H12N2O3S.C9H8Cl2O3.C7H3I2NO/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;8-5-1-4(3-10)2-6(9)7(5)11/h3-7,11H,1-2H3;2-5H,1H3,(H,12,13);1-2,11H
InChI Key:
VNBSIFOIBHKSJU-UHFFFAOYSA-N
SMILES:
CC(N1C(=O)c2ccccc2NS1(=O)=O)C.Clc1ccc(c(c1)Cl)OC(C(=O)O)C.N#Cc1cc(I)c(c(c1)I)O
Properties
Complexity:
772
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
844.872g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
846.253g/mol
Monoisotopic Mass:
844.872g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.