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80360-20-9 | 1-(Phenylsulfonyl)-1H-indole-3-carbaldehyde
CAS No: 80360-20-9 Catalog No: AG003D40 MDL No:MFCD02681985
Product Description
Catalog Number:
AG003D40
Chemical Name:
1-(Phenylsulfonyl)-1H-indole-3-carbaldehyde
CAS Number:
80360-20-9
Molecular Formula:
C15H11NO3S
Molecular Weight:
285.3177
MDL Number:
MFCD02681985
IUPAC Name:
1-(benzenesulfonyl)indole-3-carbaldehyde
InChI:
InChI=1S/C15H11NO3S/c17-11-12-10-16(15-9-5-4-8-14(12)15)20(18,19)13-6-2-1-3-7-13/h1-11H
InChI Key:
ZLARITBCJILRBL-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cccc2)S(=O)(=O)c1ccccc1
NSC Number:
628191
Properties
Complexity:
450
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.046g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
285.317g/mol
Monoisotopic Mass:
285.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
Literature
| Title | Journal |
|---|---|
| Concise total synthesis of (+/-)-pseudotabersonine via double ring-closing metathesis strategy. | Organic letters 20100820 |
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