Home Aldehydes 102619-05-6
102619-05-6,MFCD00671580
Catalog No.:AA0007UU
102619-05-6 | 1-(P-Toluenesulfonyl)pyrrole-2-aldehyde
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5g
98.0%
1 week  
$125.00   $88.00
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Technical Information
Catalog Number:
AA0007UU
Chemical Name:
1-(P-Toluenesulfonyl)pyrrole-2-aldehyde
CAS Number:
102619-05-6
Molecular Formula:
C12H11NO3S
Molecular Weight:
249.2856
MDL Number:
MFCD00671580
IUPAC Name:
1-(4-methylphenyl)sulfonylpyrrole-2-carbaldehyde
InChI:
InChI=1S/C12H11NO3S/c1-10-4-6-12(7-5-10)17(15,16)13-8-2-3-11(13)9-14/h2-9H,1H3
InChI Key:
PJJJROQSNDRWIU-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1S(=O)(=O)c1ccc(cc1)C
Properties
Computed 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:
2.1  

Synonyms
 
102619-05-6 
1-(p-Toluenesulfonyl)pyrrole-2-aldehyde 
CTK8A9038 
DTXSID30408636 
PJJJROQSNDRWIU-UHFFFAOYSA-N 
KS-000013KZ 
ZINC2567316 
ANW-14722 
MFCD00671580 
AKOS022664097 
VP60051 
CC-02495 
1-Tosyl-1H-pyrrole-2-carbaldehyde 
TC-103467 
FT-0642492 
C-15307 
I14-93816 
1-[(4-Methyl-Benzene)Sulfonyl]-1H-Pyrrole-2-Carbaldehyde 
CID5132995 
1-(p-Toluenesulfonyl)pyrrole-2-carboxaldehyde 
N-tosyl-pyrrole-2-carboxaldehyde 
AC1Q2LID 
AC1NO67N 
1-(4-methylphenyl)sulfonylpyrrole-2-carbaldehyde 
ACMC-20982c 
SCHEMBL2457308 
Literature
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