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
-2.3113 0.2216 -0.3444 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4128 -0.8691 0.0974 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0504 -0.6586 -0.1721 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6994 0.3903 0.3044 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1116 1.2218 1.0384 O 0 0 0 0 0 0 0 0 0 0 0 0
2.1066 0.5573 -0.0077 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7608 -0.2976 -0.7773 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0372 2.0526 0.7133 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.8811 0.8788 -1.1381 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.2495 -0.1952 -0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.6384 0.8621 0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5366 -1.0240 1.2068 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.7071 -1.8034 -0.4222 H 0 0 0 0 0 0 0 0 0 0 0 0
3.7932 -0.1659 -1.0002 H 0 0 0 0 0 0 0 0 0 0 0 0
2.2784 -1.1706 -1.2166 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