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1-Bromohexane

CAT: 1299-RG-B181589-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-B181589-03Size:50 mg
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CAS Number
111-25-1
Synonyms
1-bromohexane
Molecular Formula
C6H13Br
Molecular Weight
165.07
Product Name Synonym
1-bromohexane

Chemical Information

1-Bromohexane

1-Bromohexane is an organobromide compound. It is used to manufacture pharmaceuticals and organic chemicals. Bromine is a halogen element with the symbol Br and atomic number 35. Diatomic bromine does not occur naturally, but bromine salts can be found in crustal rock. (L625, L684)

CAS Number111-25-1
PubChem CID8101
IUPAC Name1-bromohexane
Molecular FormulaC6H13Br
Molecular Weight165.07
XLogP3.8
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Heavy Atom Count7
Formal Charge0
Complexity27
SMILES
CCCCCCBr
InChI
InChI=1S/C6H13Br/c1-2-3-4-5-6-7/h2-6H2,1H3
InChIKey
MNDIARAMWBIKFW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Bromohexane
CAS: 111-25-1
CID: 8101
Formula: C6H13Br
MW: 165.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.07
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count4
Exact Mass164.02006
Monoisotopic Mass164.02006
Topological Polar Surface Area0 Ų
Heavy Atom Count7
Formal Charge0
Complexity27.4
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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