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131124-21-5 | 1H-Pyrrole, 2-ethenyl-1-[(4-methylphenyl)sulfonyl]-
CAS No: 131124-21-5 Catalog No: AG000VK4 MDL No:
Product Description
Catalog Number:
AG000VK4
Chemical Name:
1H-Pyrrole, 2-ethenyl-1-[(4-methylphenyl)sulfonyl]-
CAS Number:
131124-21-5
Molecular Formula:
C13H13NO2S
Molecular Weight:
247.3128
IUPAC Name:
2-ethenyl-1-(4-methylphenyl)sulfonylpyrrole
InChI:
InChI=1S/C13H13NO2S/c1-3-12-5-4-10-14(12)17(15,16)13-8-6-11(2)7-9-13/h3-10H,1H2,2H3
InChI Key:
FHLDPDGDQTZLLS-UHFFFAOYSA-N
SMILES:
C=Cc1cccn1S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.067g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.312g/mol
Monoisotopic Mass:
247.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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