7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-[(4-methylphenyl)sulfonyl]-


Chemical Name: 7H-Pyrrolo[2,3-d]pyrimidine, 4-chloro-7-[(4-methylphenyl)sulfonyl]-
CAS Number: 479633-63-1
Product Number: AG003L62(AGN-PC-0730ST)
Synonyms:
MDL No: MFCD09907939
Molecular Formula: C13H10ClN3O2S
Molecular Weight: 307.7554

Identification/Properties


Properties
MP:
140.2-147.7°C
BP:
505.3°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
307.752g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
307.018g/mol
Monoisotopic Mass:
307.018g/mol
Topological Polar Surface Area:
73.2A^2
Heavy Atom Count:
20
Formal Charge:
0
Complexity:
445
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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