Home Other Building Blocks 1-Chloro-1,2-benziodoxol-3(1H)-one

1-Chloro-1,2-benziodoxol-3(1H)-one

CAS No.:
59457-26-0
Catalog Number:
AG00ELE7
Molecular Formula:
C7H8ClN5O3S
Molecular Weight:
277.6881
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$150
- +
5g
97%
In Stock USA
United States
$450
- +
10g
97%
In Stock USA
United States
$750
- +
25g
97%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00ELE7
Chemical Name:
1-Chloro-1,2-benziodoxol-3(1H)-one
CAS Number:
59457-26-0
Molecular Formula:
C7H8ClN5O3S
Molecular Weight:
277.6881
MDL Number:
MFCD28411322
IUPAC Name:
1-chloro-1λ3,2-benziodoxol-3-one
InChI:
InChI=1S/C7H4ClIO2/c8-9-6-4-2-1-3-5(6)7(10)11-9/h1-4H
InChI Key:
XSZMFYQLHGJKKD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)NC1=NCOCN1Cc1cnc(s1)Cl
NSC Number:
191950
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.894g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.461g/mol
Monoisotopic Mass:
281.894g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties