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10511-51-0 | 1-Benzylindole-3-carboxaldehyde
CAS No: 10511-51-0 Catalog No: AG003E0B MDL No:MFCD00022894
Product Description
Catalog Number:
AG003E0B
Chemical Name:
1-Benzylindole-3-carboxaldehyde
CAS Number:
10511-51-0
Molecular Formula:
C16H13NO
Molecular Weight:
235.2805
MDL Number:
MFCD00022894
IUPAC Name:
1-benzylindole-3-carbaldehyde
InChI:
InChI=1S/C16H13NO/c18-12-14-11-17(10-13-6-2-1-3-7-13)16-9-5-4-8-15(14)16/h1-9,11-12H,10H2
InChI Key:
OXCITQLDOUGVRZ-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cccc2)Cc1ccccc1
NSC Number:
95434
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.1g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.286g/mol
Monoisotopic Mass:
235.1g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
22A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Analogues and derivatives of oncrasin-1, a novel inhibitor of the C-terminal domain of RNA polymerase II and their antitumor activities. | Journal of medicinal chemistry 20110428 |
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