1,5-Diethyl 2-bromopentanedioate

CAT: 0926-HAA20900-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-HAA20900-01Size:1 g

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CAS Number

7209-00-9

MDL Number

MFCD12974622

Smiles

CCOC (=O) CCC (C (=O) OCC) Br

Molecular Formula

C9H15BrO4

Molecular Weight

267.12 g/mol

Controlled

Chemical Information

Diethyl 2-bromopentanedioate

See also: Pentanedioic, 2-bromo-, diethyl ester (annotation moved to).

CAS Number	7209-00-9
PubChem CID	522444
IUPAC Name	diethyl 2-bromopentanedioate
Molecular Formula	C9H15BrO4
Molecular Weight	267.12
XLogP	1.9
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	14
Formal Charge	0
Complexity	193

SMILES

CCOC(=O)CCC(C(=O)OCC)Br

InChI

InChI=1S/C9H15BrO4/c1-3-13-8(11)6-5-7(10)9(12)14-4-2/h7H,3-6H2,1-2H3

InChIKey

OXJSWZSWGJACGU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 7209-00-9

CID: 522444

Formula: C9H15BrO4

MW: 267.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	267.12
XLogP3	1.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	266.01537
Monoisotopic Mass	266.01537
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	193
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
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