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290306-56-8 | 1H-Pyrrole, 2-bromo-1-[(4-methylphenyl)sulfonyl]-
CAS No: 290306-56-8 Catalog No: AG002V93 MDL No:MFCD07364061
Product Description
Catalog Number:
AG002V93
Chemical Name:
1H-Pyrrole, 2-bromo-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
290306-56-8
Molecular Formula:
C11H10BrNO2S
Molecular Weight:
300.1716
MDL Number:
MFCD07364061
IUPAC Name:
2-bromo-1-(4-methylphenyl)sulfonylpyrrole
InChI:
InChI=1S/C11H10BrNO2S/c1-9-4-6-10(7-5-9)16(14,15)13-8-2-3-11(13)12/h2-8H,1H3
InChI Key:
DEGWOQDAQOPOEW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cccc1Br
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.962g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.17g/mol
Monoisotopic Mass:
298.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Bis(1-tosyl-2-pyrrol-yl)ethyne. | Acta crystallographica. Section E, Structure reports online 20080101 |
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