CCOC(=O)C(C(=O)OCC)Br
CAS: 685-87-0
Nom: diethyl 2-bromopropanedioate
SMILES: CCOC(=O)C(C(=O)OCC)Br

Molecular Processing

Molecular formula
C7H11BrO4
Molecular weight
239.06
Exact mass
237.9841
XLogP
0.88
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
12
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.714
Molar refractivity
45.98

Supplementary Information

InChIKey: FNJVDWXUKLTFFL-UHFFFAOYSA-N
Synonymes
Diethyl bromomalonate685-87-0Diethyl 2-bromomalonateBromomalonic acid diethyl esterEthyl bromomalonatediethyl 2-bromopropanedioate1,3-diethyl 2-bromopropanedioatePropanedioic acid, bromo-, diethyl esterPropanedioic acid, 2-bromo-, 1,3-diethyl esterdiethyl bromopropanedioateMalonic acid, bromo-, diethyl esterMFCD00009138.alpha.-Bromomalonic esterDiethyl .alpha.-bromomalonateUN4643QTM3NSC-1985BR12752-bromo-propanedioic acid diethyl esterDiethylbromomalonateDiethyl2-bromomalonatealpha-Bromomalonic esterdiethyl 2-bromopropane-1,3-dioateNSC 1985EINECS 211-683-1diethyl bromo-malonatediethyl-2-bromomalonateAI3-01376diethyl 2-bromo-malonateDiethyl bromomalonate, 92%UNII-UN4643QTM3
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→