Methyl 8-bromooctanoate

CAT: 1299-RG-E141183-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E141183-01Size:10 mg

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CAS Number

26825-92-3

Synonyms

Methyl 8-bromooctanoate

Molecular Formula

C9H17BrO2

Molecular Weight

237.14

Product Name Synonym

Methyl 8-bromooctanoate

Chemical Information

Methyl 8-bromooctanoate

CAS Number	26825-92-3
PubChem CID	11107373
IUPAC Name	methyl 8-bromooctanoate
Molecular Formula	C9H17BrO2
Molecular Weight	237.13
XLogP	3
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Heavy Atom Count	12
Formal Charge	0
Complexity	115

SMILES

COC(=O)CCCCCCCBr

InChI

InChI=1S/C9H17BrO2/c1-12-9(11)7-5-3-2-4-6-8-10/h2-8H2,1H3

InChIKey

IZIJRYNUYQXBPG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 26825-92-3

CID: 11107373

Formula: C9H17BrO2

MW: 237.13

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	237.13
XLogP3	3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	236.04119
Monoisotopic Mass	236.04119
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	115
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
RG-E141553-01	Ethyl 8-bromooctanoate
RG-E202503-01	Ethyl 7-Bromooctanoate
RG-A262940-01	Ethyl 6-Bromooctanoate
RG-A261914-01	Methyl 2-Bromobutanoate
RG-E140527-01	Methyl 6,8-dichlorooctanoate
RG-E140526-01	Methyl 8-chloro-6-hydroxyoctanoate
RG-E141395-01	Methyl 8-[ (methoxycarbonyl) amino]octanoate
RM-D121814-01	Desloratadine 8-Bromo-N-Methyl Impurity
RG-C092033-01	Methyl 6-bromoimidazo[1,2-a]pyridine-8-carboxylate
RG-C092032-01	Methyl 6-formylimidazo[1,2-a]pyridine-8-carboxylate