Methyl 12-Bromododecanoate

CAT: 0127-OR471516-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0127-OR471516-01Size:250 mg

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CAS Number

26825-95-6

MDL Number

MFCD01838179

Purity

=95%

Smiles

COC(=O)CCCCCCCCCCCBr

Chemical Information

Dodecanoic acid, 12-bromo-, methyl ester

CAS Number	26825-95-6
PubChem CID	11022721
IUPAC Name	methyl 12-bromododecanoate
Molecular Formula	C13H25BrO2
Molecular Weight	293.24
XLogP	5.1
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Heavy Atom Count	16
Formal Charge	0
Complexity	160

SMILES

COC(=O)CCCCCCCCCCCBr

InChI

InChI=1S/C13H25BrO2/c1-16-13(15)11-9-7-5-3-2-4-6-8-10-12-14/h2-12H2,1H3

InChIKey

QNXOHINFQALBQN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26825-95-6

CID: 11022721

Formula: C13H25BrO2

MW: 293.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	293.24
XLogP3	5.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	12
Exact Mass	292.10379
Monoisotopic Mass	292.10379
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	160
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR90371	Ethyl 12-bromododecanoate
OR81866-01	Tert-butyl 12-bromododecanoate
OR1073488-01	Methyl 12-oxooctadecanoate
OR1060338-01	Methyl 12-oxododecanoate
OR1040492-01	Methyl 12-hydroxystearate
OR1076349-01	12-O-Methyl clarithromycin
OR52890	Methyl-10,12-tricosadiynoate
OR1038061-01	Methyl 12-aminododecanoate (hydrochloride)
OR1013766-01	Methyl 11-Bromoundecanoate
OR91125-01	Methyl 10-bromodecanoate

Catalog	Name
GTR19276346-01	Methyl 12-bromododecanoate
WCA65536-01	Methyl 12-hydroxydodecanoate
TCL-00155-01	Methyl 12-hydroxystearate
MBS392656-01	Methyl 12-Methyltridecanoate
MBS392734-01	Methyl 12-Hydroxyoctadecanoate
sc-235651B	Methyl 12-oxooctadecanoate
TRC-M315090-500MG	Methyl 12-Ketostearate
MBS392657-01	Methyl 12-Methyltetradecanoate
sc-215318	Methyl 12-methylmyristate
HY-W129255	Ethyl 12-bromododecanoate