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Ethyl 2-Bromohexanoate

CAT: 0127-OR1028794-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR1028794-01Size:5 g
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CAS Number
615-96-3
Synonyms
Ethyl 2-bromohexanoate
Purity
99%
Smiles
CCCCC(C(=O)OCC)Br

Chemical Information

Ethyl 2-bromohexanoate
CAS Number615-96-3
PubChem CID79072
IUPAC Nameethyl 2-bromohexanoate
Molecular FormulaC8H15BrO2
Molecular Weight223.11
XLogP3.1
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count11
Formal Charge0
Complexity115
SMILES
CCCCC(C(=O)OCC)Br
InChI
InChI=1S/C8H15BrO2/c1-3-5-6-7(9)8(10)11-4-2/h7H,3-6H2,1-2H3
InChIKey
KOUAQOCYMAENKN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-bromohexanoate
CAS: 615-96-3
CID: 79072
Formula: C8H15BrO2
MW: 223.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight223.11
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass222.02554
Monoisotopic Mass222.02554
Topological Polar Surface Area26.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity115
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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