CAS 17826-04-9 | 1H-Indole-3-carboxaldehyde, 6-bromo- | CAS Number 17826-04-9

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17826-04-9 | 1H-Indole-3-carboxaldehyde, 6-bromo-

CAS No: 17826-04-9 Catalog No: AG0025W9 MDL No:MFCD00792689

Product Description

Catalog Number:

AG0025W9

Chemical Name:

1H-Indole-3-carboxaldehyde, 6-bromo-

CAS Number:

17826-04-9

Molecular Formula:

C9H6BrNO

Molecular Weight:

224.0540

MDL Number:

MFCD00792689

IUPAC Name:

6-bromo-1H-indole-3-carbaldehyde

InChI:

InChI=1S/C9H6BrNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H

InChI Key:

WCCLQCBKBPTODV-UHFFFAOYSA-N

SMILES:

O=Cc1c[nH]c2c1ccc(c2)Br

Properties

Complexity:

185

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.963g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.057g/mol

Monoisotopic Mass:

222.963g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

32.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4

Literature

Title	Journal
Bioactive indole derivatives from the South Pacific marine sponges Rhopaloeides odorabile and Hyrtios sp.	Marine drugs 20110101
Aplysinopsins--marine indole alkaloids: chemistry, bioactivity and ecological significance.	Marine drugs 20090601
1,2-bis(1H-indol-3-yl)ethane-1,2-dione, an indole alkaloid from the marine sponge Smenospongia sp.	Journal of natural products 20020401