CAS 13154-12-6

1 2D Structure

CAS 13154-12-6

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-bromohex-1-ene

2.1.2 InChI

InChI=1S/C6H11Br/c1-2-3-4-5-6-7/h5-6H,2-4H2,1H3

2.1.3 InChI Key

FBUZNPORDKVYFD-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCC=CBr

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 1-bromohexene

2. 5785-22-8

3. 1-bromo-1-hexene (cis,trans Mixture)

4. Ft-0695446

2.3 Create Date

2005-03-26

3 Chemical and Physical Properties

Molecular Formula	C₆H₁₁Br
Molecular Weight	163.06 g/mol
XLogP3	3.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	162.00441 g/mol
Monoisotopic Mass	162.00441 g/mol
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	48.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently Bonded Unit Count	1

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