1, 8- Dibromooctane- 2, 7- dione - CAS 39095-41-5
Catalog: |
BB066382 |
Product Name: |
1, 8- Dibromooctane- 2, 7- dione |
CAS: |
39095-41-5 |
Synonyms: |
1,8-Dibromo-octane-2,7-dione |
IUPAC Name: | 1,8-dibromooctane-2,7-dione |
Description: | 1, 8- Dibromooctane- 2, 7- dione is a reagent used in the preparation of tetraamino alkane tetrahydrochlorides. |
Molecular Weight: | 299.99 |
Molecular Formula: | C8H12Br2O2 |
Canonical SMILES: | C(CCC(=O)CBr)CC(=O)CBr |
InChI: | InChI=1S/C8H12Br2O2/c9-5-7(11)3-1-2-4-8(12)6-10/h1-6H2 |
InChI Key: | NXDJDGKPCRSDAD-UHFFFAOYSA-N |
References: | Miller, B. et al. Synthesis. 347, (1997). |
Complexity: | 139 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 299.91836 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.9204 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 34.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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