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141779-03-5 | 1H-Pyrrole, 1-[11-[(4-methylphenyl)sulfonyl]undecyl]-
CAS No: 141779-03-5 Catalog No: AG001H2X MDL No:
Product Description
Catalog Number:
AG001H2X
Chemical Name:
1H-Pyrrole, 1-[11-[(4-methylphenyl)sulfonyl]undecyl]-
CAS Number:
141779-03-5
Molecular Formula:
C22H33NO2S
Molecular Weight:
375.5679
IUPAC Name:
1-[11-(4-methylphenyl)sulfonylundecyl]pyrrole
InChI:
InChI=1S/C22H33NO2S/c1-21-13-15-22(16-14-21)26(24,25)20-12-8-6-4-2-3-5-7-9-17-23-18-10-11-19-23/h10-11,13-16,18-19H,2-9,12,17,20H2,1H3
InChI Key:
APYCUHBCPCKTPN-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)CCCCCCCCCCCn1cccc1
Properties
Complexity:
443
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.223g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.571g/mol
Monoisotopic Mass:
375.223g/mol
Rotatable Bond Count:
13
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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