4-​Chloro-​5-​nitro-​1-​(phenylsulfonyl)​-​7-​azaindole


Chemical Name: 4-​Chloro-​5-​nitro-​1-​(phenylsulfonyl)​-​7-​azaindole
CAS Number: 1245649-52-8
Product Number: AG000MDA(AGN-PC-0WAKZI)
Synonyms:
MDL No:
Molecular Formula: C13H8ClN3O4S
Molecular Weight: 337.7383

Identification/Properties


Computed Properties
Molecular Weight:
337.734g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
336.992g/mol
Monoisotopic Mass:
336.992g/mol
Topological Polar Surface Area:
106A^2
Heavy Atom Count:
22
Formal Charge:
0
Complexity:
526
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H317
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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