2-Bromododecane
PubChem CID: 98299
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| Compound Synonyms | 2-Bromododecane, 13187-99-0, Dodecane, 2-bromo-, 2-Bromo dodecane, EINECS 236-142-7, DTXSID40927848, NSC 97571, 2-bromo-dodecane, SCHEMBL1001129, DTXCID401356628, NAA18799, NSC97571, NSC-97571, AKOS009156715, 2-Bromododecane, technical grade, 85%, NS00051664, 236-142-7 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCBr)C |
| Heavy Atom Count | 13.0 |
| Classyfire Class | Organobromides |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 91.1 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-bromododecane |
| Veber Rule | True |
| Classyfire Superclass | Organohalogen compounds |
| Xlogp | 6.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C12H25Br |
| Inchi Key | GIUUCQVKMWBSRT-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 9.0 |
| Synonyms | 2-bromo-dodecane, 2-bromododecane |
| Esol Class | Moderately soluble |
| Functional Groups | CBr |
| Compound Name | 2-Bromododecane |
| Exact Mass | 248.114 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.114 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 249.23 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C12H25Br/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3 |
| Smiles | CCCCCCCCCCC(C)Br |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Jatropha Curcas (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2014.886965