2-Bromohexane

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CAS Number

3377-86-4

Synonyms

2-bromohexane

Purity

70%, Contains stabilizer copper shavings

Smiles

CCCCC(C)Br

Chemical Information

2-Bromohexane

2-Bromohexane is an organobromide compound. 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)

CAS Number	3377-86-4
PubChem CID	18805
IUPAC Name	2-bromohexane
Molecular Formula	C6H13Br
Molecular Weight	165.07
XLogP	3.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	35

SMILES

CCCCC(C)Br

InChI

InChI=1S/C6H13Br/c1-3-4-5-6(2)7/h6H,3-5H2,1-2H3

InChIKey

NEBYCXAKZCQWAW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3377-86-4

CID: 18805

Formula: C6H13Br

MW: 165.07

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	165.07
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	3
Exact Mass	164.02006
Monoisotopic Mass	164.02006
Topological Polar Surface Area	0 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	35.2
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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2-Bromohexane

Chemical Information

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