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Methyl 10-bromodecanoate

CAT: 0127-OR91125-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR91125-01Size:100 mg
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CAS Number
26825-94-5
Purity
97%
Smiles
O=C(CCCCCCCCCBr)OC

Chemical Information

Methyl 10-bromodecanoate
CAS Number26825-94-5
PubChem CID554079
IUPAC Namemethyl 10-bromodecanoate
Molecular FormulaC11H21BrO2
Molecular Weight265.19
XLogP4
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count14
Formal Charge0
Complexity137
SMILES
COC(=O)CCCCCCCCCBr
InChI
InChI=1S/C11H21BrO2/c1-14-11(13)9-7-5-3-2-4-6-8-10-12/h2-10H2,1H3
InChIKey
SHCRSWJVWSAMKQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 10-bromodecanoate
CAS: 26825-94-5
CID: 554079
Formula: C11H21BrO2
MW: 265.19
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight265.19
XLogP34
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass264.07249
Monoisotopic Mass264.07249
Topological Polar Surface Area26.3 Ų
Heavy Atom Count14
Formal Charge0
Complexity137
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