4-Bromo-2-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine


Chemical Name: 4-Bromo-2-methyl-1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine
CAS Number: 1014613-05-8
Product Number: AG0004IP(AGN-PC-0WAA2V)
Synonyms:
MDL No:
Molecular Formula: C14H11BrN2O2S
Molecular Weight: 351.2183

Identification/Properties


Computed Properties
Molecular Weight:
351.218g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
349.972g/mol
Monoisotopic Mass:
349.972g/mol
Topological Polar Surface Area:
60.3A^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#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P280-P301+P312-P302+P352-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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