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Home Nitros 4-Chloro-5-nitrophthalimide

4-Chloro-5-nitrophthalimide

CAS No.:
6015-57-2
Catalog Number:
AG003MOD
Molecular Formula:
C8H3ClN2O3
Molecular Weight:
210.5740
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$158
- +
1g
95%
In Stock USA
United States
$436
- +
5g
95%
In Stock USA
United States
$853
- +
25g
95%
In Stock USA
United States
$3353
- +
Product Description
Catalog Number:
AG003MOD
Chemical Name:
4-Chloro-5-nitrophthalimide
CAS Number:
6015-57-2
Molecular Formula:
C8H3ClN2O3
Molecular Weight:
210.5740
MDL Number:
MFCD00052331
IUPAC Name:
5-chloro-6-nitroisoindole-1,3-dione
InChI:
InChI=1S/C8H3ClN2O4/c9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12/h1-2H,(H,10,12,13)
InChI Key:
ADLVDYMTBOSDFE-UHFFFAOYSA-N
SMILES:
O=Nc1cc2C(=O)NC(=O)c2cc1Cl
Properties
Complexity:
340  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.978g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.572g/mol
Monoisotopic Mass:
225.978g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Literature
Title Journal
Molecular docking and enzymatic evaluation to identify selective inhibitors of aspartate semialdehyde dehydrogenase. Bioorganic & medicinal chemistry 20120501
Properties