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
-2.7606 -0.2886 0.4336 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5400 0.1495 -0.3068 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3502 -0.1947 0.4106 O 0 0 0 0 0 0 0 0 0 0 0 0
0.8789 0.1393 -0.1349 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8854 0.7375 -1.2509 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1495 -0.1452 0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2875 0.1836 -0.0653 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1457 -1.0392 2.1446 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.5595 -0.1987 1.5301 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.1128 -1.2933 0.1638 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5996 0.4106 0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4968 1.2455 -0.4683 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5397 -0.3869 -1.2926 H 0 0 0 0 0 0 0 0 0 0 0 0
4.2523 -0.0250 0.3849 H 0 0 0 0 0 0 0 0 0 0 0 0
3.3600 0.7056 -1.0349 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