Monomers
Ethyl 2-bromoacrylate
Identifiers
IUPAC name
ethyl 2-bromoprop-2-enoate
InchI
InChI=1S/C5H7BrO2/c1-3-8-5(7)4(2)6/h2-3H2,1H3
InchI Key
UCDOJQCUOURTPS-UHFFFAOYSA-N
SMILES
CCOC(=O)C(=C)Br
Canonical SMILES
CCOC(=O)C(=C)Br
Isomeric SMILES
CCOC(=O)C(=C)Br
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C5H7BrO2
Heavy Atom Count
8
Molecular Weight
179.013
Exact Molecular Weight
177.9629
Valence Electrons
46
Radical Electrons
0
tPSA
26.3
MolLogP
1.4581
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
0
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
0
MOL File
RDKit 3D
15 14 0 0 0 0 0 0 0 0999 V2000
-2.1346 -0.4377 -0.1283 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6605 0.6899 0.7606 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3514 0.3701 1.1973 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6205 0.2084 0.2142 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3021 0.3507 -0.9929 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9970 -0.1195 0.5160 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8753 -0.2614 -0.4445 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4877 -0.3366 2.3394 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.3235 -1.1854 -0.3394 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.9108 -1.0366 0.4248 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5516 0.0121 -1.0448 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5586 1.5939 0.1481 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3610 0.8112 1.6113 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9174 -0.5095 -0.2175 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6518 -0.1496 -1.4960 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
4 5 2 0
4 6 1 0
6 7 2 3
6 8 1 0
1 9 1 0
1 10 1 0
1 11 1 0
2 12 1 0
2 13 1 0
7 14 1 0
7 15 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers