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Home > Aldehydes > 119910-45-1
119910-45-1 | 2-BroMo-1H-indole-3-carbaldehyde
CAS No: 119910-45-1 Catalog No: AG008XPV MDL No:MFCD18449874
Product Description
Catalog Number:
AG008XPV
Chemical Name:
2-BroMo-1H-indole-3-carbaldehyde
CAS Number:
119910-45-1
Molecular Formula:
C9H6BrNO
Molecular Weight:
224.0540
MDL Number:
MFCD18449874
IUPAC Name:
2-bromo-1H-indole-3-carbaldehyde
InChI:
InChI=1S/C9H6BrNO/c10-9-7(5-12)6-3-1-2-4-8(6)11-9/h1-5,11H
InChI Key:
WIRLVLFYTTULCM-UHFFFAOYSA-N
SMILES:
O=Cc1c(Br)[nH]c2c1cccc2
NSC Number:
622163
Properties
Complexity:
185
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.963g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.057g/mol
Monoisotopic Mass:
222.963g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis of annulated gamma-carbolines and heteropolycycles by the palladium-catalyzed intramolecular annulation of alkynes. | The Journal of organic chemistry 20030627 |
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