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
-2.5223 -0.5531 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4669 0.4800 0.1737 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1599 -0.0348 -0.0444 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9759 0.7549 0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7547 1.9469 0.4262 O 0 0 0 0 0 0 0 0 0 0 0 0
2.3219 0.2428 -0.1246 C 0 0 0 0 0 0 0 0 0 0 0 0
2.5744 -0.9952 -0.4697 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7714 1.4569 0.1084 Br 0 0 0 0 0 0 0 0 0 0 0 0
-2.3920 -1.1506 -0.9633 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4894 -1.2874 0.8064 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.5073 -0.0402 -0.0722 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5849 1.3128 -0.5577 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5946 0.9105 1.1761 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7488 -1.7000 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0
3.5701 -1.3435 -0.6242 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