Ethyl 7-Bromooctanoate

CAT: 1299-RG-E202503-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-E202503-01Size:10 mg

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CAS Number

116496-52-7

Synonyms

Ethyl 7-bromooctanoate

Molecular Formula

C10H19BrO2

Molecular Weight

251.16

Product Name Synonym

Ethyl 7-bromooctanoate

Chemical Information

Ethyl 7-bromooctanoate

CAS Number	116496-52-7
PubChem CID	19838474
IUPAC Name	ethyl 7-bromooctanoate
Molecular Formula	C10H19BrO2
Molecular Weight	251.16
XLogP	3.2
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Heavy Atom Count	13
Formal Charge	0
Complexity	137

SMILES

CCOC(=O)CCCCCC(C)Br

InChI

InChI=1S/C10H19BrO2/c1-3-13-10(12)8-6-4-5-7-9(2)11/h9H,3-8H2,1-2H3

InChIKey

YTYSHBHYUQFTLO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 116496-52-7

CID: 19838474

Formula: C10H19BrO2

MW: 251.16

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	251.16
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	8
Exact Mass	250.05684
Monoisotopic Mass	250.05684
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	137
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

Catalog	Name
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RG-A262940-01	Ethyl 6-Bromooctanoate
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RG-E082501-01	Ethyl 4-Bromobutanoate
RG-A261594-01	Ethyl 2-Bromobutanoate
RG-A262004-01	Ethyl Oct-7-Enoate
RG-A261178-01	Ethyl 6-Hydroxyoct-7-Enoate
RG-E140528-01	Ethyl 6-chlorooct-7-enoate
RG-E140728-01	Ethyl 7-chloro-2-hydroxyheptanoate
RG-E082531-01	Ethyl 3,7,11,15-Tetramethylhexadecanoate