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Chemistry

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Also known as: 1-bromohexene, 5785-22-8, 1-bromo-1-hexene (cis,trans mixture), Ft-0695446
Molecular Formula
C6H11Br
Molecular Weight
163.06  g/mol
InChI Key
FBUZNPORDKVYFD-UHFFFAOYSA-N

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 Weight 163.06 g/mol
Molecular Formula C6H11Br
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count3
Exact Mass162.00441 g/mol
Monoisotopic Mass162.00441 g/mol
Topological Polar Surface Area0 Ų
Heavy Atom Count7
Formal Charge0
Complexity48.1
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently Bonded Unit Count1

BUILDING BLOCK

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