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Home > Bromides > 1192217-75-6
1192217-75-6 | 1H-Pyrrole, 3-bromo-1-(phenylsulfonyl)-
CAS No: 1192217-75-6 Catalog No: AG000IEG MDL No:MFCD13186766
Product Description
Catalog Number:
AG000IEG
Chemical Name:
1H-Pyrrole, 3-bromo-1-(phenylsulfonyl)-
CAS Number:
1192217-75-6
Molecular Formula:
C10H8BrNO2S
Molecular Weight:
286.1450
MDL Number:
MFCD13186766
IUPAC Name:
1-(benzenesulfonyl)-3-bromopyrrole
InChI:
InChI=1S/C10H8BrNO2S/c11-9-6-7-12(8-9)15(13,14)10-4-2-1-3-5-10/h1-8H
InChI Key:
TZJNJSNVXSVBMF-UHFFFAOYSA-N
SMILES:
Brc1ccn(c1)S(=O)(=O)c1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.946g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.143g/mol
Monoisotopic Mass:
284.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Directed lithiation of N-benzenesulfonyl-3-bromopyrrole. electrophile-controlled regioselective functionalization via dynamic equilibrium between C-2 and C-5 lithio species. | Organic letters 20100618 |
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