Ethyl 5-bromovalerate

CAT: 0024-sc-239915Size: 5 gDry Ice: NoHazardous: No

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CAT#:0024-sc-239915Size:5 g

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CAS Number

14660-52-7

Chemical Information

Ethyl 5-bromovalerate

CAS Number	14660-52-7
PubChem CID	84580
IUPAC Name	ethyl 5-bromopentanoate
Molecular Formula	C7H13BrO2
Molecular Weight	209.08
XLogP	1.9
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	10
Formal Charge	0
Complexity	93

SMILES

CCOC(=O)CCCCBr

InChI

InChI=1S/C7H13BrO2/c1-2-10-7(9)5-3-4-6-8/h2-6H2,1H3

InChIKey

AFRWBGJRWRHQOV-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14660-52-7

CID: 84580

Formula: C7H13BrO2

MW: 209.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.08
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	208.00989
Monoisotopic Mass	208.00989
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	93.6
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
sc-234930	Ethyl 2-bromovalerate
sc-250362	Methyl 5-bromovalerate
sc-353430A	Ethyl 2-ethyl-5-nitronicotinate
sc-353430	Ethyl 2-ethyl-5-nitronicotinate
sc-226956	5-Ethyl-5-methylhydantoin
sc-300642A	Ethyl 5-bromopicolinate
sc-300648	Ethyl 5-fluoronicotinate
sc-235018	Ethyl 5-methylsalicylate
sc-235019	Ethyl 5-pyrimidinecarboxylate
sc-506749	Ethyl 5-hydroxynicotinate