Home Sulfos 1-(Phenylsulfonyl)-2-pyrrolecarboxaldehyde

1-(Phenylsulfonyl)-2-pyrrolecarboxaldehyde

CAS No.:
86688-93-9
Catalog Number:
AG003D41
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
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Product Description
Catalog Number:
AG003D41
Chemical Name:
1-(Phenylsulfonyl)-2-pyrrolecarboxaldehyde
CAS Number:
86688-93-9
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
MDL Number:
MFCD00274623
IUPAC Name:
1-(benzenesulfonyl)pyrrole-2-carbaldehyde
InChI:
InChI=1S/C11H9NO3S/c13-9-10-5-4-8-12(10)16(14,15)11-6-2-1-3-7-11/h1-9H
InChI Key:
XZMIDORMXBMWTQ-UHFFFAOYSA-N
SMILES:
O=Cc1cccn1S(=O)(=O)c1ccccc1
Properties
Complexity:
341  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.03g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.257g/mol
Monoisotopic Mass:
235.03g/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  
Properties