1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

8-bromo-9-chlorododec-1-ene

2.1.2 InChI

InChI=1S/C12H22BrCl/c1-3-5-6-7-8-10-11(13)12(14)9-4-2/h3,11-12H,1,4-10H2,2H3

2.1.3 InChI Key

UNFDAZQWWFWWJX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCC(C(CCCCCC=C)Br)Cl

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 68527-01-5

2. Paraffin, Brominated, Chlorinated

3. Einecs 271-246-6

4. Alkenes, C12-30 Alpha-, Bromo Chloro

5. C12-30 Bromochloro Alpha-alkenes

6. (c12-c30) Alpha-olefin, Brominated, Chlorinated

7. Dtxsid80880428

8. C12-30 Bromochloro .alpha.-alkenes

9. 958785-01-8

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₂₂BrCl
Molecular Weight	281.66 g/mol
XLogP3	5.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	9
Exact Mass	280.05934 g/mol
Monoisotopic Mass	280.05934 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	136
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

8-Bromo-9-Chlorododec-1-Ene