DL-Ethyl 2-Bromovalerate

CAT: 0127-OR1013031-01Size: 25 gDry Ice: NoHazardous: No

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CAT#:0127-OR1013031-01Size:25 g

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CAS Number

615-83-8

MDL Number

MFCD00000159

Purity

98%

Smiles

CCCC(Br)C(=O)OCC

Chemical Information

Ethyl 2-bromovalerate

CAS Number	615-83-8
PubChem CID	79071
IUPAC Name	ethyl 2-bromopentanoate
Molecular Formula	C7H13BrO2
Molecular Weight	209.08
XLogP	2.6
Topological Polar Surface Area	26.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	10
Formal Charge	0
Complexity	104

SMILES

CCCC(C(=O)OCC)Br

InChI

InChI=1S/C7H13BrO2/c1-3-5-6(8)7(9)10-4-2/h6H,3-5H2,1-2H3

InChIKey

ORSIRXYHFPHWTN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 615-83-8

CID: 79071

Formula: C7H13BrO2

MW: 209.08

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	209.08
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	208.00989
Monoisotopic Mass	208.00989
Topological Polar Surface Area	26.3 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	104
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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Catalog	Name
274726-01	DL-Ethyl 2-bromovalerate
TRC-E900550-5G	Ethyl 2-Bromovalerate
abx182472-01	Ethyl-2-bromovalerate
sc-239915	Ethyl 5-bromovalerate
E05880-01	Ethyl 5-bromovalerate 98%
237664-01	Ethyl 5-bromovalerate 99+% (GC)
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sc-326487A	Boc-S-[2- (4-pyridyl) ethyl]-DL-penicillamine
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EL76125	DL-Luciferin 1- (4,5-dimethoxy-2-nitrophenyl) ethyl ester