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1201186-54-0 | 5H-Pyrrolo[2,3-b]pyrazine, 2-bromo-5-[(4-methylphenyl)sulfonyl]-
CAS No: 1201186-54-0 Catalog No: AG000QC4 MDL No:MFCD12964053
Product Description
Catalog Number:
AG000QC4
Chemical Name:
5H-Pyrrolo[2,3-b]pyrazine, 2-bromo-5-[(4-methylphenyl)sulfonyl]-
CAS Number:
1201186-54-0
Molecular Formula:
C13H10BrN3O2S
Molecular Weight:
352.2064
MDL Number:
MFCD12964053
IUPAC Name:
2-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
InChI:
InChI=1S/C13H10BrN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-7-6-11-13(17)15-8-12(14)16-11/h2-8H,1H3
InChI Key:
UMZKBENCNNDLRF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1ccc2c1ncc(n2)Br
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.968g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
352.206g/mol
Monoisotopic Mass:
350.968g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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