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
-2.2135 0.4155 0.1617 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6024 -0.8541 0.6666 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3134 -1.0412 0.1155 O 0 0 0 0 0 0 0 0 0 0 0 0
0.6694 -0.0951 0.3462 C 0 0 0 0 0 0 0 0 0 0 0 0
0.3513 0.9136 1.0578 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0040 -0.1991 -0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9064 0.7247 0.0740 C 0 0 0 0 0 0 0 0 0 0 0 0
2.4389 -1.7179 -1.2271 Br 0 0 0 0 0 0 0 0 0 0 0 0
-1.4540 0.9816 -0.4255 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.5965 1.0758 0.9911 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.0279 0.1621 -0.5561 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5145 -0.8739 1.7830 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.2117 -1.7413 0.3348 H 0 0 0 0 0 0 0 0 0 0 0 0
2.6490 1.5796 0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0
3.9148 0.6699 -0.3024 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