Diethyl dibromomalonate

CAT: 0024-sc-234658Size: 25 mLDry Ice: NoHazardous: No

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CAT#:0024-sc-234658Size:25 mL

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CAS Number

631-22-1

Chemical Information

Propanedioic acid, 2,2-dibromo-, 1,3-diethyl ester

CAS Number	631-22-1
PubChem CID	69427
IUPAC Name	diethyl 2,2-dibromopropanedioate
Molecular Formula	C7H10Br2O4
Molecular Weight	317.96
XLogP	2.4
Topological Polar Surface Area	52.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Heavy Atom Count	13
Formal Charge	0
Complexity	183

SMILES

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

InChI

InChI=1S/C7H10Br2O4/c1-3-12-5(10)7(8,9)6(11)13-4-2/h3-4H2,1-2H3

InChIKey

PFZYFZRUPFUEOB-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 631-22-1

CID: 69427

Formula: C7H10Br2O4

MW: 317.96

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	317.96
XLogP3	2.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	317.89253
Monoisotopic Mass	315.89458
Topological Polar Surface Area	52.6 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	183
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-202574A	Diethyl Pyrocarbonate
sc-257337	Diethyl ketomalonate
sc-257343	Diethyl oxalpropionate
sc-486313	Diethyl sulfite
sc-239729	Diethyl cyanomethylphosphonate
sc-234670	Diethyl suberate
sc-239742	Diethyl vinylphosphonate
sc-357334	Diethyl cromoglycate
sc-239738	Diethyl phthalate
sc-268908	Diethyl phenylphosphonate

Catalog	Name
OR46029-01	Diethyl 2,2-dibromomalonate
TRC-P359432-10MG	Diethyl phosphate-d10 (diethyl-d10)
D24360-01	Diethyl phosphonacetaldehyde diethyl acetal 98%
B9076	Butyronitrile Diethyl Malonate (Diethyl-3-cyanopropylmalonate)
070975	Diethyl Carbamyl Chloride (Diethyl Carbamoyl Chloride)
C6538-500	Diethyl fumarate
BA8017-25	Diethyl-pythiDC
QAA30097-01	Diethyl acetoxyethylphosphonate
FD61056-01	Diethyl Chlorothiophosphate
FD21801-01	Diethyl phthalate