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88075-95-0 | 1H-Pyrrole-3-carboxaldehyde, 1-(phenylsulfonyl)-
CAS No: 88075-95-0 Catalog No: AG004HPM MDL No:
Product Description
Catalog Number:
AG004HPM
Chemical Name:
1H-Pyrrole-3-carboxaldehyde, 1-(phenylsulfonyl)-
CAS Number:
88075-95-0
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
IUPAC Name:
1-(benzenesulfonyl)pyrrole-3-carbaldehyde
InChI:
InChI=1S/C11H9NO3S/c13-9-10-6-7-12(8-10)16(14,15)11-4-2-1-3-5-11/h1-9H
InChI Key:
VWQLLLJGYNDBTE-UHFFFAOYSA-N
SMILES:
O=Cc1ccn(c1)S(=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:
1.4
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