7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-6-iodo-7-(phenylsulfonyl)-


Chemical Name: 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-6-iodo-7-(phenylsulfonyl)-
CAS Number: 876343-09-8
Product Number: AG00IEPD(AGN-PC-0BSYVH)
Synonyms:
MDL No:
Molecular Formula: C12H7ClIN3O2S
Molecular Weight: 419.6254

Identification/Properties


Computed Properties
Molecular Weight:
419.621g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
418.899g/mol
Monoisotopic Mass:
418.899g/mol
Topological Polar Surface Area:
73.2A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
452
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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