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117954-70-8 | 1-Tosyl-1H-pyrrole-3-carbaldehyde
CAS No: 117954-70-8 Catalog No: AG007QO0 MDL No:MFCD00667757
Product Description
Catalog Number:
AG007QO0
Chemical Name:
1-Tosyl-1H-pyrrole-3-carbaldehyde
CAS Number:
117954-70-8
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
MDL Number:
MFCD00667757
IUPAC Name:
1-(4-methylphenyl)sulfonylpyrrole-3-carbaldehyde
InChI:
InChI=1S/C12H11NO3S/c1-10-2-4-12(5-3-10)17(15,16)13-7-6-11(8-13)9-14/h2-9H,1H3
InChI Key:
UJCPINMMJOQEOT-UHFFFAOYSA-N
SMILES:
O=Cc1ccn(c1)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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