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854923-38-9 | 5,6-Dibromo-1H-indole
CAS No: 854923-38-9 Catalog No: AG0036CS MDL No:MFCD16610749
Product Description
Catalog Number:
AG0036CS
Chemical Name:
5,6-Dibromo-1H-indole
CAS Number:
854923-38-9
Molecular Formula:
C8H5Br2N
Molecular Weight:
274.9400
MDL Number:
MFCD16610749
IUPAC Name:
5,6-dibromo-1H-indole
InChI:
InChI=1S/C8H5Br2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChI Key:
RXYMGJXOXIECHX-UHFFFAOYSA-N
SMILES:
Brc1cc2[nH]ccc2cc1Br
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.877g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.943g/mol
Monoisotopic Mass:
272.879g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
15.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Literature
| Title | Journal |
|---|---|
| Regioselective dibromination of methyl indole-3-carboxylate and application in the synthesis of 5,6-dibromoindoles. | Organic & biomolecular chemistry 20110721 |
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