Home Sulfos Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)

Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)

CAS No.:
144550-36-7
Catalog Number:
AG001JQR
Molecular Formula:
C14H14IN5NaO6S
Molecular Weight:
530.2501
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
In Stock USA
United States
$73
- +
5g
In Stock USA
United States
$151
- +
Product Description
Catalog Number:
AG001JQR
Chemical Name:
Benzoic acid, 4-iodo-2-[[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]carbonyl]amino]sulfonyl]-, methyl ester, sodium salt (1:1)
CAS Number:
144550-36-7
Molecular Formula:
C14H14IN5NaO6S
Molecular Weight:
530.2501
MDL Number:
MFCD06636642
IUPAC Name:
sodium;(5-iodo-2-methoxycarbonylphenyl)sulfonyl-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoyl]azanide
InChI:
InChI=1S/C14H14IN5O6S.Na/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2;/h4-6H,1-3H3,(H2,16,17,18,19,20,22);/q;+1/p-1
InChI Key:
JUJFQMPKBJPSFZ-UHFFFAOYSA-M
SMILES:
COc1nc(nc(n1)C)NC(=O)NS(=O)(=O)c1cc(I)ccc1C(=O)OC.[Na]
UNII:
V040QSW5XF
Properties
Complexity:
651  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
528.953g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
529.241g/mol
Monoisotopic Mass:
528.953g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties