Diethyl 2,4-dibromopentanedioate

CAT: 0926-AAA87078-01Size: 0.5 KgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-AAA87078-01Size:0.5 Kg

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

870-78-0

MDL Number

MFCD31697873

Smiles

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

Molecular Formula

C9H14Br2O4

Molecular Weight

346.01 g/mol

Controlled

Chemical Information

1,5-Diethyl 2,4-dibromopentanedioate

CAS Number	870-78-0
PubChem CID	12463730
IUPAC Name	diethyl 2,4-dibromopentanedioate
Molecular Formula	C9H14Br2O4
Molecular Weight	346.01
XLogP	2.7
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Heavy Atom Count	15
Formal Charge	0
Complexity	198

SMILES

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

InChI

InChI=1S/C9H14Br2O4/c1-3-14-8(12)6(10)5-7(11)9(13)15-4-2/h6-7H,3-5H2,1-2H3

InChIKey

DUSLEJGELFKEAS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 870-78-0

CID: 12463730

Formula: C9H14Br2O4

MW: 346.01

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	346.01
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	8
Exact Mass	345.92383
Monoisotopic Mass	343.92588
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	198
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
FD15032-01	4,4'-Diethyl-2,2'-bipyridine
RFC05280-01	2,6-Diethyl-4-thioisonicotinamide
QDA64779-01	2,2-Diethyl-4-methoxy-4-oxobutanoic acid
XIA60929-01	4,4-Diethyl-3-hydroxyoxolan-2-one
FD62601-01	Diethyl 4,4'-Biphenyldicarboxylate
ID57936-01	Diethyl 2-propylimidazole-4,5-dicarboxylate
FD145680-01	2,6-Diethyl-4-phenylpyronium tetrafluoroborate
FCA94240-01	Diethyl 1h-pyrrole-2,4-dicarboxylate
FD21808-01	Diethyl[2- (4-nitrophenoxy) ethyl]amine
DCA38901	Diethyl 4-chloropyridine-2,6-dicarboxylate

Catalog	Name
OR1006003	Diethyl 2,4-dibromopentanedioate
271094-01	4,4'-Diethyl-2,2'-bipyridine
446793-01	Diethyl 2,2'-dimethylbiphenyl-4,4'-dicarboxylate
OR72754-01	Diethyl [2,2'-bipyridine]-4,4'-dicarboxylate
446776-01	Diethyl 2- (4-fluorophenyl) malonate
TRC-D187190-25G	Diethyl 2-(4-Chlorobutyl)malonate
OR1083608-01	α, α-Diethyl-4- (2-methylpropyl) benzenemethanol
OR1012877-01	Diethyl Pyridine-2,4-Dicarboxylate
OR470705	Diethyl 2- (4-Methoxybenzyl) malonate
OR911846-01	2,6-Diethyl-4-methylaniline