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Home > Aldehydes > 102619-05-6
102619-05-6 | 1H-Pyrrole-2-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-
CAS No: 102619-05-6 Catalog No: AG0007XM MDL No:MFCD00671580
Product Description
Catalog Number:
AG0007XM
Chemical Name:
1H-Pyrrole-2-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-
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
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
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