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16851-84-6 | 1H-Pyrrole, 1-[(4-bromophenyl)sulfonyl]-
CAS No: 16851-84-6 Catalog No: AG001Y51 MDL No:MFCD01922566
Product Description
Catalog Number:
AG001Y51
Chemical Name:
1H-Pyrrole, 1-[(4-bromophenyl)sulfonyl]-
CAS Number:
16851-84-6
Molecular Formula:
C10H8BrNO2S
Molecular Weight:
286.1450
MDL Number:
MFCD01922566
IUPAC Name:
1-(4-bromophenyl)sulfonylpyrrole
InChI:
InChI=1S/C10H8BrNO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h1-8H
InChI Key:
WTLWGWZWPABAIF-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1)S(=O)(=O)n1cccc1
Properties
Complexity:
298
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
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