1H-Pyrrolo[2,3-b]pyridine, 3-bromo-1-[(4-methylphenyl)sulfonyl]-


Chemical Name: 1H-Pyrrolo[2,3-b]pyridine, 3-bromo-1-[(4-methylphenyl)sulfonyl]-
CAS Number: 226085-18-3
Product Number: AG00BIT3(AGN-PC-03E5UC)
Synonyms:
MDL No:
Molecular Formula: C14H11BrN2O2S
Molecular Weight: 351.2183

Identification/Properties


Computed Properties
Molecular Weight:
351.218g/mol
XLogP3:
3.5
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:
443
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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